 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer06_STD_M11_def2SVPD.in
 Output=30_ibuprofen_conformer06_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-42084.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42098.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer06_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer06_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.736226000000     -0.365262000000     -1.272205000000
  C                                                 1.580407000000     -0.843892000000     -0.268944000000
  C                                                -0.631287000000     -0.249652000000     -1.070495000000
  C                                                -1.202033000000     -0.613612000000      0.148225000000
  C                                                -0.367697000000     -1.095463000000      1.151784000000
  C                                                 1.000381000000     -1.213316000000      0.943659000000
  C                                                 3.068617000000     -0.934244000000     -0.480851000000
  C                                                 3.864505000000      0.334941000000     -0.092392000000
  C                                                 3.754611000000      0.654693000000      1.397822000000
  C                                                 3.475770000000      1.545740000000     -0.939652000000
  C                                                -2.702771000000     -0.516689000000      0.368988000000
  C                                                -3.138269000000      0.918833000000      0.145133000000
  O                                                -3.559047000000      1.373836000000     -0.886855000000
  O                                                -2.970828000000      1.672405000000      1.255783000000
  H                                                 1.156867000000     -0.080316000000     -2.228675000000
  H                                                -1.260188000000      0.132647000000     -1.864576000000
  H                                                -0.792008000000     -1.385962000000      2.105337000000
  H                                                 1.627267000000     -1.599939000000      1.737720000000
  H                                                 3.268482000000     -1.153685000000     -1.532795000000
  H                                                 3.462957000000     -1.774242000000      0.096737000000
  H                                                 4.913285000000      0.101574000000     -0.306459000000
  H                                                 4.394928000000      1.499871000000      1.657871000000
  H                                                 4.056957000000     -0.196129000000      2.012581000000
  H                                                 2.730553000000      0.917518000000      1.669696000000
  H                                                 2.441497000000      1.841134000000     -0.753494000000
  H                                                 3.577595000000      1.336297000000     -2.006833000000
  H                                                 4.113060000000      2.400281000000     -0.703913000000
  H                                                -2.898442000000     -0.751368000000      1.416045000000
  C                                                -3.487164000000     -1.472476000000     -0.531817000000
  H                                                -3.218631000000      2.580750000000      1.021627000000
  H                                                -4.556603000000     -1.415011000000     -0.324547000000
  H                                                -3.151396000000     -2.495431000000     -0.362197000000
  H                                                -3.334967000000     -1.225513000000     -1.581072000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395801   0.000000
     3  C    1.387135   2.426354   0.000000
     4  C    2.415812   2.822947   1.394093   0.000000
     5  C    2.761804   2.424225   2.392363   1.391196   0.000000
     6  C    2.387263   1.394027   2.765467   2.417227   1.388828
     7  C    2.527851   1.505934   3.808627   4.328625   3.807853
     8  C    3.415900   2.576416   4.637950   5.160180   4.637409
     9  C    4.156922   3.122664   5.113368   5.266727   4.485198
    10  C    3.356728   3.122914   4.484247   5.265750   5.110998
    11  C    3.813548   4.342768   2.536625   1.519982   2.529885
    12  C    4.320817   5.054163   3.021269   2.469293   3.570267
    13  O    4.649981   5.631529   3.352792   3.252208   4.520863
    14  O    4.927987   5.419436   3.818288   3.095350   3.801079
    15  H    1.083036   2.145456   2.137183   3.390939   3.844779
    16  H    2.141141   3.401272   1.082697   2.147476   3.376866
    17  H    3.845142   3.399912   3.376824   2.143579   1.083371
    18  H    3.373134   2.144878   3.848430   3.391795   2.139556
    19  H    2.664927   2.131405   4.029788   4.806559   4.520194
    20  H    3.360698   2.131494   4.522128   4.807478   4.030853
    21  H    4.312589   3.464591   5.607976   6.173762   5.607864
    22  H    5.044816   4.138523   5.980606   6.170236   5.447429
    23  H    4.673936   3.429031   5.611404   5.595274   4.596448
    24  H    3.778577   2.860721   4.491425   4.486030   3.730882
    25  H    2.836405   2.861054   3.730131   4.484884   4.488347
    26  H    3.392397   3.429613   4.594198   5.593859   5.608533
    27  H    4.401612   4.138621   5.446591   6.169271   5.978379
    28  H    4.537243   4.786213   3.402145   2.122298   2.567665
    29  C    4.428444   5.113169   3.153015   2.534152   3.564790
    30  H    5.438892   6.035272   4.368352   3.877299   4.653956
    31  H    5.478510   6.163778   4.162043   3.481220   4.452931
    32  H    4.525410   5.012608   3.449081   2.757134   3.464250
    33  H    4.172534   5.101786   2.919397   2.813236   4.036100
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526798   0.000000
     8  C    3.416681   1.547633   0.000000
     9  C    3.358795   2.554353   1.528089   0.000000
    10  C    4.157740   2.554720   1.528070   2.517042   0.000000
    11  C    3.811676   5.848547   6.638317   6.642922   6.643833
    12  C    4.723571   6.507779   7.031088   7.010763   6.731663
    13  O    5.552704   7.029794   7.537878   7.695876   7.037115
    14  O    4.918873   6.803338   7.094234   6.803488   6.811359
    15  H    3.372222   2.727429   3.473823   4.521061   3.111744
    16  H    3.848113   4.668137   5.426236   6.005329   5.028083
    17  H    2.142886   4.668709   5.429055   5.033547   6.006727
    18  H    1.083050   2.728131   3.478262   3.118411   4.525548
    19  H    3.358670   1.093017   2.155461   3.477796   2.771585
    20  H    2.663869   1.093027   2.155380   2.770850   3.478009
    21  H    4.313067   2.122765   1.095548   2.133785   2.133776
    22  H    4.403911   3.501164   2.168371   1.091768   2.755736
    23  H    3.394101   2.781876   2.179446   1.092355   3.476718
    24  H    2.839204   2.858000   2.174902   1.091644   2.785446
    25  H    3.779789   2.858380   2.175000   2.785690   1.091619
    26  H    4.674180   2.782631   2.179476   3.476722   1.092296
    27  H    5.045924   3.501382   2.168264   2.755513   1.091765
    28  H    3.954411   6.263980   7.013765   6.800033   7.173325
    29  C    4.730989   6.578036   7.583330   7.790485   7.599895
    30  H    5.674599   7.358132   7.513688   7.244123   7.052153
    31  H    5.703429   7.641960   8.604144   8.736504   8.582739
    32  H    4.537216   6.414043   7.570117   7.791911   7.783563
    33  H    5.016937   6.503938   7.515556   7.916508   7.380881
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516738   0.000000
    13  O    2.425785   1.203778   0.000000
    14  O    2.377055   1.352572   2.241884   0.000000
    15  H    4.672802   5.008139   5.114185   5.679027   0.000000
    16  H    2.737059   2.860805   2.789488   3.877342   2.453584
    17  H    2.724254   3.828762   4.922012   3.850014   4.928132
    18  H    4.668628   5.620576   6.529134   5.664184   4.273502
    19  H    6.299080   6.939541   7.308950   7.395400   2.468864
    20  H    6.298552   7.129599   7.757989   7.390288   3.687137
    21  H    7.670905   8.105515   8.586962   8.189466   4.223586
    22  H    7.490331   7.705520   8.352080   7.378740   5.299742
    23  H    6.964056   7.516767   8.299099   7.311219   5.139279
    24  H    5.767998   6.063610   6.804649   5.766015   4.320817
    25  H    5.769124   5.726426   6.020189   5.775719   2.741971
    26  H    6.965707   7.064564   7.224086   7.323898   2.813526
    27  H    7.491020   7.449654   7.742628   7.385911   4.149378
    28  H    1.090729   2.112417   3.202536   2.430144   5.493617
    29  C    1.529788   2.509651   2.869270   3.654093   5.136581
    30  H    3.207207   1.880603   2.283600   0.970220   6.065535
    31  H    2.173630   2.771119   3.014793   3.813694   6.168537
    32  H    2.156691   3.451776   3.925898   4.474519   5.279929
    33  H    2.169064   2.759836   2.699771   4.071642   4.680538
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276164   0.000000
    18  H    4.931104   2.456384   0.000000
    19  H    4.719489   5.456880   3.686326   0.000000
    20  H    5.458120   4.721225   2.468393   1.754505   0.000000
    21  H    6.367139   6.370235   4.227497   2.405193   2.405141
    22  H    6.801270   5.952526   4.156338   4.300069   3.745067
    23  H    6.588814   4.993673   2.819508   3.756101   2.552202
    24  H    5.388239   4.231340   2.749447   3.851649   3.202528
    25  H    4.225625   5.389120   4.325517   3.203148   3.851911
    26  H    4.987299   6.588935   5.142659   2.553483   3.756807
    27  H    5.946520   6.803471   5.304950   3.745802   4.300037
    28  H    3.771980   2.305406   4.615798   6.847515   6.576796
    29  C    3.051571   3.771728   5.596825   6.836837   6.985007
    30  H    4.261323   4.774697   6.440006   7.909090   8.029010
    31  H    3.953895   4.480776   6.521303   7.922128   8.038649
    32  H    3.569398   3.589757   5.295959   6.662238   6.669363
    33  H    2.495933   4.481294   5.981500   6.604016   7.023384
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.466277   0.000000
    23  H    2.489954   1.765350   0.000000
    24  H    3.055368   1.763354   1.765539   0.000000
    25  H    3.055429   3.122024   3.796225   2.609304   0.000000
    26  H    2.489956   3.758303   4.328257   3.796014   1.765344
    27  H    2.466249   2.543268   3.758169   3.121527   1.763300
    28  H    8.044726   7.636740   7.002979   5.876658   6.320041
    29  C    8.549618   8.703847   8.063299   7.015607   6.795452
    30  H    8.604544   7.716177   7.850301   6.211210   5.977887
    31  H    9.590575   9.620625   9.007844   7.906980   7.730451
    32  H    8.472699   8.774401   7.930114   7.097474   7.087973
    33  H    8.451003   8.813044   8.283388   7.207677   6.592173
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765329   0.000000
    28  H    7.616659   7.974226   0.000000
    29  C    7.744398   8.531780   2.158879   0.000000
    30  H    7.543800   7.534172   3.370623   4.349016   0.000000
    31  H    8.750141   9.479632   2.493909   1.090854   4.423625
    32  H    7.916204   8.766817   2.503575   1.089930   5.261854
    33  H    7.384284   8.330000   3.065628   1.088619   4.612506
                   31         32         33
    31  H    0.000000
    32  H    1.772944   0.000000
    33  H    1.762714   1.769759   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.94D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1831818           0.2892133           0.2785107
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       984.3576103471 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.86D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer06_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               8.5 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -655.824452341639    
 DIIS: error= 4.10D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -655.824452341639     IErMin= 1 ErrMin= 4.10D-03
 ErrMax= 4.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-02 BMatP= 2.47D-02
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.10D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.26D-02 MaxDP=7.07D-01              OVMax= 2.00D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.09D-02    CP:  1.17D+00
 E= -655.850190687428     Delta-E=       -0.025738345789 Rises=F Damp=F
 DIIS: error= 1.41D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -655.850190687428     IErMin= 2 ErrMin= 1.41D-03
 ErrMax= 1.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 2.47D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.41D-02
 Coeff-Com: -0.286D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.282D-01 0.103D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.00D-03 MaxDP=1.57D-01 DE=-2.57D-02 OVMax= 9.59D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.11D-03    CP:  1.23D+00  1.14D+00
 E= -655.851119439262     Delta-E=       -0.000928751834 Rises=F Damp=F
 DIIS: error= 1.09D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -655.851119439262     IErMin= 3 ErrMin= 1.09D-03
 ErrMax= 1.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.64D-04 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.09D-02
 Coeff-Com: -0.607D-01 0.482D+00 0.579D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.601D-01 0.477D+00 0.583D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.86D-04 MaxDP=1.75D-02 DE=-9.29D-04 OVMax= 4.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.37D-04    CP:  1.24D+00  1.15D+00  1.05D+00
 E= -655.851619823291     Delta-E=       -0.000500384030 Rises=F Damp=F
 DIIS: error= 2.27D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -655.851619823291     IErMin= 4 ErrMin= 2.27D-04
 ErrMax= 2.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-05 BMatP= 7.64D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.27D-03
 Coeff-Com: -0.143D-01 0.429D-01 0.156D+00 0.815D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.143D-01 0.428D-01 0.156D+00 0.815D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.63D-05 MaxDP=3.05D-03 DE=-5.00D-04 OVMax= 1.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.84D-05    CP:  1.24D+00  1.15D+00  1.06D+00  1.16D+00
 E= -655.851642893635     Delta-E=       -0.000023070344 Rises=F Damp=F
 DIIS: error= 9.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -655.851642893635     IErMin= 5 ErrMin= 9.63D-05
 ErrMax= 9.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.44D-06 BMatP= 2.72D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.915D-03-0.360D-01-0.659D-02 0.354D+00 0.687D+00
 Coeff:      0.915D-03-0.360D-01-0.659D-02 0.354D+00 0.687D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=3.13D-05 MaxDP=1.38D-03 DE=-2.31D-05 OVMax= 8.17D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.24D-05    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.07D+00
 E= -655.851648145734     Delta-E=       -0.000005252099 Rises=F Damp=F
 DIIS: error= 2.74D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -655.851648145734     IErMin= 6 ErrMin= 2.74D-05
 ErrMax= 2.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.62D-07 BMatP= 6.44D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-02-0.217D-01-0.208D-01 0.840D-01 0.329D+00 0.627D+00
 Coeff:      0.195D-02-0.217D-01-0.208D-01 0.840D-01 0.329D+00 0.627D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.03D-06 MaxDP=3.22D-04 DE=-5.25D-06 OVMax= 1.99D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.20D-06    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.11D+00
                    CP:  1.09D+00
 E= -655.851648825189     Delta-E=       -0.000000679455 Rises=F Damp=F
 DIIS: error= 4.52D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -655.851648825189     IErMin= 7 ErrMin= 4.52D-06
 ErrMax= 4.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-08 BMatP= 8.62D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-03-0.152D-02-0.446D-02-0.179D-01 0.944D-02 0.145D+00
 Coeff-Com:  0.869D+00
 Coeff:      0.361D-03-0.152D-02-0.446D-02-0.179D-01 0.944D-02 0.145D+00
 Coeff:      0.869D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.08D-06 MaxDP=2.45D-04 DE=-6.79D-07 OVMax= 7.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.22D-06    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.13D+00
                    CP:  1.13D+00  1.17D+00
 E= -655.851648871701     Delta-E=       -0.000000046512 Rises=F Damp=F
 DIIS: error= 1.24D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -655.851648871701     IErMin= 8 ErrMin= 1.24D-06
 ErrMax= 1.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-09 BMatP= 3.11D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.833D-04 0.150D-02 0.881D-03-0.106D-01-0.246D-01-0.363D-01
 Coeff-Com:  0.154D+00 0.915D+00
 Coeff:     -0.833D-04 0.150D-02 0.881D-03-0.106D-01-0.246D-01-0.363D-01
 Coeff:      0.154D+00 0.915D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.28D-06 MaxDP=5.90D-05 DE=-4.65D-08 OVMax= 2.55D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.59D-07    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.14D+00
                    CP:  1.16D+00  1.22D+00  1.06D+00
 E= -655.851648876187     Delta-E=       -0.000000004486 Rises=F Damp=F
 DIIS: error= 5.56D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -655.851648876187     IErMin= 9 ErrMin= 5.56D-07
 ErrMax= 5.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-10 BMatP= 2.82D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.664D-04 0.764D-03 0.773D-03-0.297D-02-0.104D-01-0.292D-01
 Coeff-Com: -0.136D-01 0.365D+00 0.690D+00
 Coeff:     -0.664D-04 0.764D-03 0.773D-03-0.297D-02-0.104D-01-0.292D-01
 Coeff:     -0.136D-01 0.365D+00 0.690D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.73D-07 MaxDP=1.97D-05 DE=-4.49D-09 OVMax= 8.34D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.12D-07    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.14D+00
                    CP:  1.16D+00  1.24D+00  1.12D+00  9.81D-01
 E= -655.851648876930     Delta-E=       -0.000000000743 Rises=F Damp=F
 DIIS: error= 1.59D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -655.851648876930     IErMin=10 ErrMin= 1.59D-07
 ErrMax= 1.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-11 BMatP= 5.76D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.968D-05 0.388D-04 0.118D-03 0.421D-03 0.478D-03-0.463D-02
 Coeff-Com: -0.224D-01-0.113D-01 0.196D+00 0.841D+00
 Coeff:     -0.968D-05 0.388D-04 0.118D-03 0.421D-03 0.478D-03-0.463D-02
 Coeff:     -0.224D-01-0.113D-01 0.196D+00 0.841D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.40D-07 MaxDP=1.14D-05 DE=-7.43D-10 OVMax= 4.10D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.14D+00
                    CP:  1.16D+00  1.24D+00  1.13D+00  1.02D+00  1.03D+00
 E= -655.851648876911     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 8.33D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -655.851648876930     IErMin=11 ErrMin= 8.33D-08
 ErrMax= 8.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-12 BMatP= 5.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.513D-05-0.825D-04-0.589D-04 0.468D-03 0.155D-02 0.189D-02
 Coeff-Com: -0.420D-02-0.491D-01-0.302D-01 0.254D+00 0.826D+00
 Coeff:      0.513D-05-0.825D-04-0.589D-04 0.468D-03 0.155D-02 0.189D-02
 Coeff:     -0.420D-02-0.491D-01-0.302D-01 0.254D+00 0.826D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.73D-08 MaxDP=1.65D-06 DE= 1.96D-11 OVMax= 1.45D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.76D-08    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.14D+00
                    CP:  1.16D+00  1.24D+00  1.13D+00  1.04D+00  1.09D+00
                    CP:  9.80D-01
 E= -655.851648876991     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 2.39D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -655.851648876991     IErMin=12 ErrMin= 2.39D-08
 ErrMax= 2.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-13 BMatP= 7.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.207D-05-0.205D-04-0.242D-04 0.363D-04 0.292D-03 0.780D-03
 Coeff-Com:  0.212D-02-0.862D-02-0.304D-01-0.492D-01 0.164D+00 0.921D+00
 Coeff:      0.207D-05-0.205D-04-0.242D-04 0.363D-04 0.292D-03 0.780D-03
 Coeff:      0.212D-02-0.862D-02-0.304D-01-0.492D-01 0.164D+00 0.921D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.03D-08 MaxDP=1.36D-06 DE=-7.96D-11 OVMax= 7.15D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.63D-08    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.14D+00
                    CP:  1.16D+00  1.23D+00  1.13D+00  1.04D+00  1.11D+00
                    CP:  1.04D+00  1.14D+00
 E= -655.851648876968     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 7.73D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -655.851648876991     IErMin=13 ErrMin= 7.73D-09
 ErrMax= 7.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-13 BMatP= 7.41D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-06 0.631D-05 0.266D-05-0.575D-04-0.133D-03-0.984D-04
 Coeff-Com:  0.118D-02 0.472D-02-0.407D-02-0.496D-01-0.768D-01 0.253D+00
 Coeff-Com:  0.872D+00
 Coeff:     -0.192D-06 0.631D-05 0.266D-05-0.575D-04-0.133D-03-0.984D-04
 Coeff:      0.118D-02 0.472D-02-0.407D-02-0.496D-01-0.768D-01 0.253D+00
 Coeff:      0.872D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.20D-08 MaxDP=8.14D-07 DE= 2.21D-11 OVMax= 3.18D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.24D-09    CP:  1.24D+00  1.15D+00  1.07D+00  1.21D+00  1.14D+00
                    CP:  1.16D+00  1.23D+00  1.13D+00  1.04D+00  1.11D+00
                    CP:  1.05D+00  1.23D+00  1.14D+00
 E= -655.851648876986     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 3.39D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -655.851648876991     IErMin=14 ErrMin= 3.39D-09
 ErrMax= 3.39D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-14 BMatP= 1.11D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.287D-06 0.397D-05 0.357D-05-0.203D-04-0.685D-04-0.116D-03
 Coeff-Com:  0.736D-04 0.226D-02 0.230D-02-0.716D-02-0.381D-01-0.389D-01
 Coeff-Com:  0.231D+00 0.849D+00
 Coeff:     -0.287D-06 0.397D-05 0.357D-05-0.203D-04-0.685D-04-0.116D-03
 Coeff:      0.736D-04 0.226D-02 0.230D-02-0.716D-02-0.381D-01-0.389D-01
 Coeff:      0.231D+00 0.849D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.23D-09 MaxDP=2.60D-07 DE=-1.73D-11 OVMax= 1.32D-07

 SCF Done:  E(RM11) =  -655.851648877     A.U. after   14 cycles
            NFock= 14  Conv=0.42D-08     -V/T= 2.0120
 KE= 6.480729440902D+02 PE=-3.490322209025D+03 EE= 1.202040005710D+03
 Leave Link  502 at Wed Sep  8 12:40:51 2021, MaxMem=  6442450944 cpu:            5332.5 elap:             667.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.63599148D+02

 Leave Link  801 at Wed Sep  8 12:40:52 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10031 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 3.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.81D-01 6.67D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 3.61D-02 6.39D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 4.91D-03 1.76D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 5.35D-04 4.62D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 5.29D-05 8.92D-04.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 3.78D-06 2.35D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.79D-07 4.81D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 5.89D-09 1.16D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.86D-10 2.25D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 7.35D-12 4.11D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.76D-13 5.98D-08.
      3 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 5.05D-14 1.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   132 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.208048D+03
      2 -0.601069D+00  0.136432D+03
      3  0.177908D+01 -0.793707D+01  0.152219D+03
 Isotropic polarizability for W=    0.088559      165.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.155795D+03  0.515007D+02 -0.236444D+02
      2  -0.869600D+02 -0.311238D+02  0.358388D+02
      3  -0.688347D+02 -0.203769D+02 -0.121944D+02
      4  -0.302606D+02  0.720289D+02 -0.146427D+02
      5  -0.271893D+02 -0.212546D+02  0.108523D+03
      6   0.197110D+01  0.196465D+02 -0.293582D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.996232D+01 -0.825389D+01  0.227350D+02
      2   0.273912D+01 -0.699944D+01  0.486162D+02
      3  -0.110946D+03 -0.351794D+02  0.133694D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.661195D+01 -0.161924D+02  0.898126D+01
      2   0.354484D+01 -0.166138D+02  0.177358D+03
      3  -0.817613D+02 -0.158989D+03  0.232257D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.153200D+01 -0.202247D+00  0.129553D+02
      2  -0.202247D+00 -0.244990D+01 -0.106310D+01
      3   0.129553D+02 -0.106310D+01 -0.267444D+01
 OR G Eigenvalues:   -13.7370    -2.4563    12.6010  Iso=     1.1974
 Eigenvectors:
   (1)  -0.645335   0.060162   0.761527
   (2)   0.081620   0.996618  -0.009568
   (3)   0.759527  -0.055981   0.648063
 w=    0.088559 a.u., Optical Rotation Beta=      1.1974 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      294.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 6.42D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.39D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 4.88D-02 3.65D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.06D-03 8.89D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 7.87D-05 1.37D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.48D-06 1.65D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 4.50D-08 2.83D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 5.78D-10 2.30D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 7.16D-12 2.81D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 8.47D-14 2.76D-08.
      6 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 5.38D-15 6.41D-09.
      2 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 5.23D-15 4.70D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   278 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.29D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208048D+03 -0.601069D+00  0.177908D+01
      2  -0.601069D+00  0.136432D+03 -0.793707D+01
      3   0.177908D+01 -0.793707D+01  0.152219D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.996232D+01 -0.825389D+01  0.227350D+02
      2   0.273912D+01 -0.699944D+01  0.486162D+02
      3  -0.110946D+03 -0.351794D+02  0.133694D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.155795D+03  0.515007D+02 -0.236444D+02
      2  -0.869600D+02 -0.311238D+02  0.358388D+02
      3  -0.688347D+02 -0.203769D+02 -0.121944D+02
      4  -0.302606D+02  0.720289D+02 -0.146427D+02
      5  -0.271893D+02 -0.212546D+02  0.108523D+03
      6   0.197110D+01  0.196465D+02 -0.293582D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.981965D+01  0.229508D+00  0.642382D+00  0.532524D+01  0.206382D+01
      2   0.229508D+00  0.110481D+01 -0.351534D-01  0.206382D+01  0.179476D+01
      3   0.642382D+00 -0.351534D-01  0.939509D+00 -0.409725D+00 -0.258780D+01
                 6             7             8             9            10 
      1  -0.409725D+00 -0.856326D+01  0.316672D+00 -0.296975D+00  0.278321D+02
      2  -0.258780D+01  0.316672D+00 -0.124089D+01 -0.974796D+00  0.175067D+01
      3  -0.223364D+01 -0.296975D+00 -0.974796D+00 -0.173631D+01 -0.128218D+01
                11            12            13            14            15 
      1   0.175067D+01 -0.128218D+01 -0.214536D+00  0.393389D+01  0.128669D+01
      2   0.195941D+01 -0.659962D+00  0.393389D+01 -0.107668D+01 -0.143422D+00
      3  -0.659962D+00  0.275629D+01  0.128669D+01 -0.143422D+00 -0.815687D+00
                16            17            18            19            20 
      1  -0.361604D+01  0.122279D+01  0.114414D+01  0.734722D+01 -0.417081D+00
      2   0.122279D+01  0.463174D-01 -0.990706D+00 -0.417081D+00 -0.904603D+00
      3   0.114414D+01 -0.990706D+00 -0.293946D+00 -0.500076D+00 -0.471655D+00
                21            22            23            24            25 
      1  -0.500076D+00  0.323227D+01 -0.153818D+01 -0.110038D+01 -0.118566D+02
      2  -0.471655D+00 -0.153818D+01  0.245105D+01 -0.202313D+01 -0.179435D-02
      3  -0.258639D+01 -0.110038D+01 -0.202313D+01 -0.869587D+00  0.341798D+00
                26            27            28            29            30 
      1  -0.179435D-02  0.341798D+00 -0.245294D+02 -0.482279D+00  0.103558D+01
      2  -0.873881D+00 -0.764522D+00 -0.482279D+00 -0.146347D+01  0.153953D+00
      3  -0.764522D+00 -0.137049D+01  0.103558D+01  0.153953D+00 -0.254799D+01
                31            32            33            34            35 
      1   0.278540D+01 -0.453672D+01 -0.149230D+01  0.289097D+01 -0.138498D+01
      2  -0.453672D+01  0.821927D+00  0.449973D+00 -0.138498D+01  0.131118D+00
      3  -0.149230D+01  0.449973D+00  0.120141D-01 -0.647928D+00 -0.767688D+00
                36            37            38            39            40 
      1  -0.647928D+00  0.114057D+02 -0.518761D+00 -0.978204D+00 -0.418570D+01
      2  -0.767688D+00 -0.518761D+00 -0.208110D+01  0.124708D+01 -0.153695D+01
      3   0.768626D+00 -0.978204D+00  0.124708D+01 -0.142916D+01  0.711035D-01
                41            42            43            44            45 
      1  -0.153695D+01  0.711035D-01  0.958433D+01 -0.156157D+01  0.390072D+00
      2  -0.250040D+01  0.214986D+01 -0.156157D+01  0.116057D+01  0.133241D+01
      3   0.214986D+01  0.214882D+01  0.390072D+00  0.133241D+01  0.147512D+01
                46            47            48            49            50 
      1  -0.849002D+01  0.616841D+00  0.739209D+00 -0.184191D+01  0.143213D+01
      2   0.616841D+00  0.141775D+01 -0.505975D+00  0.143213D+01 -0.348870D+01
      3   0.739209D+00 -0.505975D+00  0.284271D+01  0.173515D+01  0.195601D+01
                51            52            53            54            55 
      1   0.173515D+01  0.119008D+02  0.140208D+01 -0.722444D+00 -0.129651D+02
      2   0.195601D+01  0.140208D+01 -0.105062D+00  0.138365D+01 -0.294670D+01
      3   0.845171D+00 -0.722444D+00  0.138365D+01  0.703841D+00 -0.600214D+00
                56            57            58            59            60 
      1  -0.294670D+01 -0.600214D+00 -0.641769D+01 -0.707780D+01 -0.451491D+00
      2  -0.387974D+01 -0.483062D-01 -0.707780D+01  0.296786D+00 -0.201961D+01
      3  -0.483062D-01 -0.144351D+01 -0.451491D+00 -0.201961D+01  0.172053D+01
                61            62            63            64            65 
      1  -0.156606D+01 -0.550695D+00 -0.308723D+01 -0.434867D+01  0.456149D+01
      2  -0.550695D+00 -0.255671D+01  0.268797D+01  0.456149D+01  0.301458D+01
      3  -0.308723D+01  0.268797D+01  0.473607D+01  0.252615D+01 -0.209324D+00
                66            67            68            69            70 
      1   0.252615D+01  0.124882D+02  0.506761D+01 -0.533345D-01  0.532514D+01
      2  -0.209324D+00  0.506761D+01  0.154860D+01  0.318474D+01  0.629822D+00
      3   0.491073D+00 -0.533345D-01  0.318474D+01 -0.234772D+01  0.365400D-01
                71            72            73            74            75 
      1   0.629822D+00  0.365400D-01  0.285693D+01 -0.341163D+01 -0.264516D+01
      2   0.328490D+01 -0.221292D+01 -0.341163D+01 -0.334773D+01 -0.142888D+00
      3  -0.221292D+01 -0.419413D+01 -0.264516D+01 -0.142888D+00 -0.131399D+01
                76            77            78            79            80 
      1  -0.502106D+01 -0.439800D+01 -0.463175D-01 -0.318279D+01  0.188616D+00
      2  -0.439800D+01 -0.884998D+00 -0.417081D+01  0.188616D+00 -0.322727D+01
      3  -0.463175D-01 -0.417081D+01  0.243617D+01 -0.270238D+00  0.227106D+01
                81            82            83            84            85 
      1  -0.270238D+00  0.333522D+01 -0.390283D+01 -0.142574D+01 -0.548414D+01
      2   0.227106D+01 -0.390283D+01 -0.373753D+01  0.301598D+00 -0.367919D+01
      3   0.253163D+01 -0.142574D+01  0.301598D+00 -0.759298D+00 -0.144697D+00
                86            87            88            89            90 
      1  -0.367919D+01 -0.144697D+00 -0.199405D+01 -0.772633D+00 -0.645344D+00
      2  -0.233992D+01 -0.243945D+01 -0.772633D+00 -0.310073D+01  0.176500D+01
      3  -0.243945D+01  0.256285D+01 -0.645344D+00  0.176500D+01  0.597299D+01
                91            92            93            94            95 
      1   0.337950D+01  0.283086D+01  0.553249D+00  0.226921D+00  0.527871D+01
      2   0.283086D+01  0.166269D+01  0.857243D+00  0.527871D+01 -0.328319D+01
      3   0.553249D+00  0.857243D+00  0.138788D+01  0.168805D+01  0.830815D-02
                96            97            98            99           100 
      1   0.168805D+01  0.362291D+01  0.154664D+01  0.195957D+01  0.251491D+01
      2   0.830815D-02  0.154664D+01  0.179171D+01  0.188557D+01 -0.151732D+01
      3   0.139704D+01  0.195957D+01  0.188557D+01 -0.427484D+01  0.146337D+01
               101           102           103           104           105 
      1  -0.151732D+01  0.146337D+01 -0.165814D+01 -0.421101D+00 -0.138702D+01
      2   0.326432D+00 -0.803832D+00 -0.421101D+00  0.280495D+01  0.222292D+00
      3  -0.803832D+00  0.363853D+00 -0.138702D+01  0.222292D+00 -0.159465D+01
               106           107           108           109           110 
      1   0.214464D+01 -0.213363D+01  0.102272D+01 -0.510011D+01  0.200955D+01
      2  -0.213363D+01  0.168392D+01 -0.200972D+01  0.200955D+01 -0.158058D+01
      3   0.102272D+01 -0.200972D+01  0.303673D+01 -0.331236D+01  0.639738D+00
               111           112           113           114           115 
      1  -0.331236D+01  0.281255D+01 -0.244335D+01  0.125098D+01 -0.682958D+01
      2   0.639738D+00 -0.244335D+01  0.279221D+01 -0.226540D+01  0.265737D+01
      3  -0.184595D+01  0.125098D+01 -0.226540D+01  0.207837D+01 -0.295318D+01
               116           117           118           119           120 
      1   0.265737D+01 -0.295318D+01  0.962041D+00 -0.113867D-01  0.118947D+01
      2  -0.418444D+01  0.189778D+01 -0.113867D-01  0.194384D+01  0.414726D+00
      3   0.189778D+01 -0.727658D+01  0.118947D+01  0.414726D+00  0.294909D+00
               121           122           123           124           125 
      1  -0.191220D+00  0.184612D+01  0.209405D+00  0.286482D+01 -0.102647D+01
      2   0.184612D+01 -0.504962D+01  0.772248D+00 -0.102647D+01  0.279647D+01
      3   0.209405D+00  0.772248D+00  0.204912D+00 -0.757343D+00  0.236197D+01
               126           127           128           129           130 
      1  -0.757343D+00  0.216212D+01  0.748524D+00 -0.191049D+01  0.448521D+00
      2   0.236197D+01  0.748524D+00  0.405433D+00 -0.348015D+00  0.283963D+00
      3   0.440069D+01 -0.191049D+01 -0.348015D+00  0.188172D+01 -0.628164D+00
               131           132           133           134           135 
      1   0.283963D+00 -0.628164D+00 -0.216144D+01 -0.869727D+00  0.258237D+01
      2   0.517842D+00 -0.686932D+00 -0.869727D+00 -0.120579D+01  0.154608D+01
      3  -0.686932D+00  0.205652D+01  0.258237D+01  0.154608D+01 -0.706597D+01
               136           137           138           139           140 
      1  -0.387786D+01  0.121568D+01 -0.191709D+01  0.173256D+01 -0.628816D+00
      2   0.121568D+01 -0.849737D+00  0.589678D+00 -0.628816D+00  0.686606D+00
      3  -0.191709D+01  0.589678D+00 -0.169361D+01  0.109014D+01 -0.662634D+00
               141           142           143           144           145 
      1   0.109014D+01 -0.230976D+01  0.857939D+00 -0.242896D+01 -0.209393D+01
      2  -0.662634D+00  0.857939D+00 -0.124499D+01  0.146392D+01 -0.644646D+00
      3   0.170084D+01 -0.242896D+01  0.146392D+01 -0.441602D+01  0.206016D+01
               146           147           148           149           150 
      1  -0.644646D+00  0.206016D+01 -0.398895D+00 -0.240642D+00  0.693673D+00
      2  -0.401174D+00  0.609332D+00 -0.240642D+00 -0.716529D+00  0.957545D+00
      3   0.609332D+00 -0.215917D+01  0.693673D+00  0.957545D+00 -0.239382D+01
               151           152           153           154           155 
      1   0.204445D+01  0.101416D+01 -0.262669D+01  0.381821D+01 -0.100809D+01
      2   0.101416D+01  0.167366D+01 -0.241164D+01 -0.100809D+01  0.108249D+01
      3  -0.262669D+01 -0.241164D+01  0.740279D+01  0.248882D+01 -0.971470D+00
               156           157           158           159           160 
      1   0.248882D+01 -0.162623D+01  0.874462D+00 -0.131408D+01  0.249557D+01
      2  -0.971470D+00  0.874462D+00 -0.957757D+00  0.106257D+01 -0.121358D+01
      3   0.211401D+01 -0.131408D+01  0.106257D+01 -0.199486D+01  0.275036D+01
               161           162           163           164           165 
      1  -0.121358D+01  0.275036D+01  0.144842D+01 -0.431056D+00 -0.169678D+01
      2   0.179739D+01 -0.209163D+01 -0.431056D+00  0.891640D+00  0.449805D+00
      3  -0.209163D+01  0.474124D+01 -0.169678D+01  0.449805D+00  0.131557D+01
               166           167           168           169           170 
      1   0.965608D+00  0.151217D+01  0.510571D+00 -0.413237D+01  0.634983D+00
      2   0.151217D+01 -0.119996D+01 -0.130973D+01  0.634983D+00 -0.176920D+01
      3   0.510571D+00 -0.130973D+01 -0.135788D+01  0.284487D+01 -0.246708D+01
               171           172           173           174           175 
      1   0.284487D+01  0.319631D+01 -0.191214D+01  0.107772D+01 -0.255982D+01
      2  -0.246708D+01 -0.191214D+01  0.232346D+01 -0.358496D+00  0.322353D+01
      3  -0.672993D+01  0.107772D+01 -0.358496D+00  0.629692D+00 -0.539985D+00
               176           177           178           179           180 
      1   0.322353D+01 -0.539985D+00  0.394363D+01 -0.792251D+00  0.118122D+01
      2  -0.570815D+01  0.141121D+01 -0.792251D+00  0.254153D+01 -0.159968D+01
      3   0.141121D+01 -0.109264D+01  0.118122D+01 -0.159968D+01  0.899078D+00
               181           182           183           184           185 
      1   0.131090D+02 -0.157040D+01 -0.172828D+01 -0.306422D+01  0.122531D+01
      2  -0.157040D+01  0.110827D+01  0.209240D+00  0.122531D+01 -0.105947D+01
      3  -0.172828D+01  0.209240D+00  0.140465D+01  0.181738D+00 -0.738773D+00
               186           187           188           189           190 
      1   0.181738D+00 -0.227795D+01  0.560425D-01  0.202368D+01  0.434841D+01
      2  -0.738773D+00  0.560425D-01 -0.782097D+00  0.357093D-01  0.312152D+01
      3  -0.109249D+00  0.202368D+01  0.357093D-01 -0.358668D+00  0.223682D+01
               191           192           193           194           195 
      1   0.312152D+01  0.223682D+01  0.380739D+01  0.376244D+01  0.180704D+01
      2   0.282107D+01  0.123722D+01  0.376244D+01  0.502945D+01  0.255876D+01
      3   0.123722D+01  0.188604D+01  0.180704D+01  0.255876D+01  0.202202D+01
               196           197           198           199           200 
      1   0.138309D+01  0.949843D+00  0.162392D+01  0.134004D+01 -0.790869D+00
      2   0.949843D+00  0.141672D+01  0.129184D+01 -0.790869D+00  0.127906D+01
      3   0.162392D+01  0.129184D+01  0.141765D+01  0.166449D+01 -0.639858D+00
               201           202           203           204           205 
      1   0.166449D+01 -0.147009D+01  0.134311D+01 -0.122826D+01  0.159100D+01
      2  -0.639858D+00  0.134311D+01 -0.356110D+01  0.259455D+01 -0.676617D+00
      3   0.152250D+01 -0.122826D+01  0.259455D+01 -0.338901D+01  0.157380D+01
               206           207           208           209           210 
      1  -0.676617D+00  0.157380D+01 -0.677064D+01  0.438059D+00  0.770238D+00
      2   0.206728D+01 -0.218513D+01  0.438059D+00 -0.117267D+01 -0.733178D+00
      3  -0.218513D+01  0.391629D+01  0.770238D+00 -0.733178D+00 -0.196613D+01
               211           212           213           214           215 
      1   0.414722D+00 -0.695335D+00 -0.642113D+00  0.735021D+00 -0.432089D+00
      2  -0.695335D+00  0.911696D+00  0.892686D+00 -0.432089D+00  0.668477D+00
      3  -0.642113D+00  0.892686D+00  0.432311D+00 -0.100610D+01  0.160420D+00
               216           217           218           219           220 
      1  -0.100610D+01 -0.696058D+01  0.634625D+00  0.694726D+00  0.481614D+00
      2   0.160420D+00  0.634625D+00 -0.212507D+01  0.341324D+00 -0.132713D+01
      3   0.111614D+01  0.694726D+00  0.341324D+00 -0.108714D+01  0.192618D+00
               221           222           223           224           225 
      1  -0.132713D+01  0.192618D+00  0.904892D+00 -0.743539D-01 -0.622084D+00
      2   0.145964D+01  0.278097D+00 -0.743539D-01  0.756285D+00  0.149985D+00
      3   0.278097D+00  0.142269D+00 -0.622084D+00  0.149985D+00 -0.310142D+00
               226           227           228           229           230 
      1   0.268324D+00  0.391083D+00 -0.121594D+01  0.214903D-01  0.402560D+00
      2   0.391083D+00  0.587195D+00 -0.116608D+00  0.402560D+00 -0.794944D-01
      3  -0.121594D+01 -0.116608D+00  0.952687D+00  0.109838D-01 -0.777712D+00
               231           232           233           234           235 
      1   0.109838D-01 -0.148621D+01 -0.333447D+00  0.129287D+01  0.381638D+01
      2  -0.777712D+00 -0.333447D+00 -0.129752D+01  0.441790D+00  0.369694D+01
      3  -0.956237D+00  0.129287D+01  0.441790D+00 -0.896780D+01  0.300275D-01
               236           237           238           239           240 
      1   0.369694D+01  0.300275D-01  0.348793D+01  0.430784D+01 -0.119896D+00
      2   0.400283D+01 -0.221738D+00  0.430784D+01  0.736130D+01  0.342897D-02
      3  -0.221738D+00  0.948623D+00 -0.119896D+00  0.342897D-02  0.710343D+00
               241           242           243           244           245 
      1   0.968777D+00  0.683842D+00  0.891130D+00  0.243773D+00 -0.879451D+00
      2   0.683842D+00  0.147701D+01  0.808667D+00 -0.879451D+00 -0.491510D+00
      3   0.891130D+00  0.808667D+00 -0.174667D+00  0.146557D+01  0.100417D+00
               246           247           248           249           250 
      1   0.146557D+01 -0.124136D+01 -0.101617D+01  0.187763D+00  0.243758D+01
      2   0.100417D+00 -0.101617D+01 -0.567516D+00  0.115137D+01  0.200547D+00
      3  -0.117012D+01  0.187763D+00  0.115137D+01 -0.120505D+01 -0.191631D+01
               251           252           253           254           255 
      1   0.200547D+00 -0.191631D+01  0.782375D+01 -0.720461D+00 -0.192078D+01
      2   0.142516D+01 -0.103378D+01 -0.720461D+00 -0.326628D+01 -0.726416D+00
      3  -0.103378D+01  0.613484D+01 -0.192078D+01 -0.726416D+00 -0.973495D+00
               256           257           258           259           260 
      1  -0.467314D+01 -0.348927D+01 -0.113573D+01 -0.611192D+01 -0.149764D+01
      2  -0.348927D+01  0.403945D+01 -0.129454D+01 -0.149764D+01 -0.235881D+01
      3  -0.113573D+01 -0.129454D+01 -0.169955D+01 -0.148735D+01 -0.139779D+01
               261           262           263           264           265 
      1  -0.148735D+01 -0.851192D+00  0.128658D+01  0.442590D+00  0.154062D+01
      2  -0.139779D+01  0.128658D+01 -0.174391D+01 -0.405517D+00 -0.247432D+01
      3   0.378369D+01  0.442590D+00 -0.405517D+00 -0.364766D+00 -0.482904D+00
               266           267           268           269           270 
      1  -0.247432D+01 -0.482904D+00 -0.202619D+00  0.475350D+00 -0.190461D+00
      2   0.873891D+01  0.167794D+01  0.475350D+00 -0.127586D+01  0.517502D+00
      3   0.167794D+01  0.152461D+01 -0.190461D+00  0.517502D+00  0.448039D+00
               271           272           273           274           275 
      1  -0.148165D+02 -0.175209D+01  0.378279D+00  0.516980D+00 -0.119740D+01
      2  -0.175209D+01 -0.130586D+01 -0.111668D+00 -0.119740D+01 -0.433148D+00
      3   0.378279D+00 -0.111668D+00 -0.102938D+01  0.115704D+00  0.265096D+00
               276           277           278           279           280 
      1   0.115704D+00  0.225805D+01  0.460035D+00 -0.129063D+01 -0.360454D-02
      2   0.265096D+00  0.460035D+00  0.633509D+00  0.175023D-01 -0.894206D+00
      3   0.279490D+00 -0.129063D+01  0.175023D-01  0.756205D-01  0.344382D+00
               281           282           283           284           285 
      1  -0.894206D+00  0.344382D+00 -0.136745D+01 -0.239977D+00 -0.179142D-01
      2   0.192304D+01  0.200123D+00 -0.239977D+00 -0.858973D+01  0.249725D-01
      3   0.200123D+00  0.400299D+00 -0.179142D-01  0.249725D-01 -0.874667D+00
               286           287           288           289           290 
      1   0.103217D+01  0.308154D+00  0.988982D-01 -0.581067D+00  0.279476D+00
      2   0.308154D+00  0.112704D+01 -0.886707D+00  0.279476D+00  0.496949D+00
      3   0.988982D-01 -0.886707D+00 -0.110244D+00 -0.669952D+00  0.158589D+00
               291           292           293           294           295 
      1  -0.669952D+00  0.112759D+01  0.382690D+00  0.162712D+00 -0.183728D+01
      2   0.158589D+00  0.382690D+00  0.241170D+00 -0.501713D+00 -0.283430D+00
      3   0.238095D+00  0.162712D+00 -0.501713D+00  0.659961D+00 -0.808699D+00
               296           297 
      1  -0.283430D+00 -0.808699D+00
      2  -0.125580D+01 -0.225059D+00
      3  -0.225059D+00 -0.628132D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243809D+01 -0.215377D+01  0.139442D+01 -0.719295D+01 -0.185755D+01
      2   0.277411D+01 -0.257506D+01  0.971130D+01 -0.178219D+01  0.222605D+01
      3   0.167630D+02 -0.137845D+01  0.272593D+01  0.688117D+01 -0.198073D+01
                 6             7             8             9            10 
      1  -0.249713D+01 -0.700331D+00  0.182548D+01 -0.568764D-01 -0.393194D+01
      2  -0.308667D+01 -0.461693D+01 -0.102358D+01  0.218336D+01 -0.332998D+00
      3   0.264758D+01  0.133087D+02  0.400055D+00  0.228631D+01 -0.338119D+02
                11            12            13            14            15 
      1  -0.562127D+00  0.120413D+01  0.268645D+01  0.392947D+01 -0.826676D+01
      2   0.836975D+00 -0.231102D+01  0.418710D+01  0.660643D-01  0.229470D+00
      3  -0.206758D+01  0.105397D+01  0.102204D+02 -0.153597D+01 -0.104679D+01
                16            17            18            19            20 
      1  -0.402892D+01 -0.179878D+01 -0.422124D+01 -0.582007D+00  0.121264D+01
      2  -0.209813D+02 -0.145381D+01 -0.400986D+01 -0.329167D+01 -0.235595D+01
      3   0.738331D+00 -0.126310D+01 -0.292842D+00 -0.930204D+01 -0.169999D+01
                21            22            23            24            25 
      1  -0.129477D+01  0.557060D+01 -0.212738D+01 -0.345398D+01  0.487480D+01
      2   0.361365D+01 -0.388547D+01 -0.216953D+01  0.484563D+00 -0.267605D+01
      3   0.296790D+01  0.855775D+01  0.146460D+01 -0.240571D+01  0.163907D+02
                26            27            28            29            30 
      1   0.153217D+01 -0.161384D+01  0.182362D+01  0.796193D+00 -0.290781D+01
      2   0.716649D+00 -0.125872D+01  0.289990D+00  0.210736D+01 -0.298685D+01
      3  -0.585151D+00 -0.405387D+01  0.255371D+02  0.103167D+01 -0.265707D+01
                31            32            33            34            35 
      1  -0.137026D+01  0.461336D+01 -0.798240D+01 -0.557597D+01 -0.125081D+01
      2   0.450811D+01 -0.119084D+00  0.295380D+01 -0.224350D+02  0.318478D+01
      3   0.695880D+01  0.514910D+01  0.822505D+00 -0.583841D+01 -0.212657D+01
                36            37            38            39            40 
      1  -0.307510D+01 -0.296329D+01 -0.393754D+00 -0.114797D+01 -0.474370D+01
      2  -0.604982D+00 -0.226100D+01 -0.243618D+01  0.850044D+01 -0.331443D+01
      3   0.235445D+01 -0.132519D+02 -0.384477D+00  0.280878D+01  0.152665D+02
                41            42            43            44            45 
      1   0.168243D+01  0.666309D+00 -0.203228D+01  0.381930D+01  0.234616D+01
      2   0.145715D+01 -0.268617D+01 -0.711527D+01 -0.572041D+00  0.144746D+01
      3  -0.324365D+00  0.190848D+01 -0.913419D+01  0.353393D+01  0.116133D+01
                46            47            48            49            50 
      1   0.247265D+01  0.121519D+01  0.268950D+01  0.878047D+01  0.132848D+01
      2  -0.230079D-01 -0.229550D+01  0.348758D+01 -0.325820D+01 -0.173956D+01
      3   0.139425D+02 -0.204386D+01 -0.316965D+00  0.121005D+02  0.143302D+01
                51            52            53            54            55 
      1  -0.246948D+01  0.224990D+01  0.313928D+01 -0.161743D-01  0.183684D+01
      2   0.114795D+01 -0.452553D+01  0.473457D+00  0.398046D+00 -0.707806D+01
      3  -0.481162D+01 -0.124621D+02 -0.193626D+01 -0.128863D+01  0.232998D+02
                56            57            58            59            60 
      1   0.177774D+01 -0.208424D+00  0.411101D+01 -0.307781D+01  0.231567D+01
      2  -0.686193D+00 -0.279495D+01 -0.427194D+01 -0.122066D+02  0.771390D+01
      3   0.127295D+02  0.178943D+00  0.400503D+02  0.901436D+01  0.823844D+01
                61            62            63            64            65 
      1  -0.787005D+00  0.813618D+01  0.443757D+01 -0.200663D+01 -0.124213D+00
      2  -0.200263D+02  0.899609D+01  0.160859D+02  0.120614D+02  0.452453D-01
      3   0.360531D+01  0.104075D+02 -0.488580D+01 -0.282278D+02 -0.165332D+02
                66            67            68            69            70 
      1  -0.741723D+00 -0.319216D+01 -0.234874D+01 -0.300138D+01  0.260434D+01
      2   0.598986D+01  0.419301D+01  0.152104D+02 -0.107743D+02 -0.211339D+01
      3   0.153498D+01 -0.252063D+02 -0.774380D+01 -0.131594D+02 -0.495235D+01
                71            72            73            74            75 
      1   0.527981D+01  0.201810D+01 -0.227334D+01 -0.630509D+01  0.505741D+00
      2  -0.959075D+01 -0.175335D+02 -0.180105D+02  0.539794D+01  0.384096D+01
      3  -0.142975D+02  0.759034D+01  0.174473D+02  0.934183D+01 -0.225163D+01
                76            77            78            79            80 
      1  -0.900993D+01  0.177334D+01 -0.138361D+02  0.636958D+00 -0.651748D+01
      2   0.683495D+01 -0.101126D+02  0.104865D+02  0.333888D+01  0.943664D+01
      3   0.177198D+02  0.110740D+01  0.164679D+02 -0.272922D+01  0.129415D+02
                81            82            83            84            85 
      1   0.278374D+01  0.631433D+01  0.426976D+01  0.131840D+01  0.542867D+01
      2   0.121174D+02 -0.968619D-01 -0.399125D+01 -0.192564D+01 -0.669012D+01
      3  -0.931571D+01  0.244299D+02  0.359128D+01 -0.245262D+01  0.742734D+01
                86            87            88            89            90 
      1   0.887328D+01 -0.450292D+01  0.295075D+01  0.336461D+01 -0.157991D+02
      2  -0.137860D+02  0.101032D+02 -0.610836D+01  0.676380D+01  0.207215D+02
      3   0.120860D+01  0.100491D+02  0.225582D+00  0.112599D+02 -0.696877D+01
                91            92            93            94            95 
      1   0.918950D+00  0.135862D+00  0.177387D+01  0.208492D+01 -0.155798D+01
      2  -0.414000D+01 -0.319690D+01 -0.302342D+00 -0.386092D+01 -0.293238D+01
      3  -0.209765D+00 -0.717314D+00  0.243518D+01  0.307178D+02 -0.153474D+02
                96            97            98            99           100 
      1  -0.330047D+01  0.274310D+01  0.486872D+01 -0.157071D+01 -0.845236D+00
      2  -0.631980D+01 -0.157709D+02 -0.649910D+01  0.151817D+02  0.201005D+01
      3  -0.100388D+01  0.137308D+01  0.419612D+01  0.478492D+01  0.109720D+02
               101           102           103           104           105 
      1  -0.547273D+01 -0.471871D+01 -0.691283D+00 -0.173046D+00  0.217532D+01
      2   0.318401D+01  0.459291D+01  0.200616D+01  0.991969D+00  0.116496D+02
      3  -0.129810D+02 -0.448823D+01 -0.726577D+01  0.206350D+01  0.314428D+01
               106           107           108           109           110 
      1  -0.639409D+01  0.818508D+00 -0.400520D+01  0.444049D+01  0.280172D+01
      2  -0.298695D+01  0.824374D+01 -0.169269D+02  0.909182D+01 -0.270959D+01
      3  -0.833319D+01  0.119306D+02 -0.472293D+01 -0.653380D+00 -0.475793D+01
               111           112           113           114           115 
      1   0.389993D+01 -0.465907D+00  0.816086D+00 -0.665415D+01  0.405661D+01
      2   0.874342D+01 -0.753290D+00  0.757322D+01 -0.101144D+02  0.350293D+01
      3   0.383080D+00 -0.340608D+01  0.115988D+02 -0.772580D+01  0.979869D+01
               116           117           118           119           120 
      1   0.469601D+01  0.116074D+02 -0.356257D+01  0.303005D+01  0.176879D+00
      2  -0.577443D+01  0.286962D+02 -0.541581D+01 -0.766468D+00  0.146277D+00
      3  -0.176588D+02  0.493359D+01 -0.593567D+00  0.602433D+01  0.409592D+01
               121           122           123           124           125 
      1   0.112512D+01 -0.568342D+01 -0.319381D+01 -0.240925D+01  0.733381D+01
      2  -0.203674D+01 -0.440108D+01 -0.176853D+01 -0.250001D+01 -0.652975D+01
      3   0.694165D+01 -0.118450D+02  0.293241D+01 -0.179596D+01  0.821018D+01
               126           127           128           129           130 
      1  -0.660204D+01 -0.265593D+01 -0.227633D+01  0.115333D+01 -0.834356D+00
      2  -0.138880D+02  0.503764D+01  0.154293D+01 -0.152690D+01  0.771905D+00
      3   0.742101D+01 -0.639513D+00 -0.845763D+00  0.816660D+00  0.887475D+00
               131           132           133           134           135 
      1  -0.161500D+01  0.145402D-01  0.320018D+01  0.542435D+01 -0.532410D+01
      2   0.177385D+00  0.364084D+00 -0.487125D+01 -0.664483D+00 -0.185056D+01
      3  -0.300992D+00  0.177566D+00  0.101802D+01  0.215503D+01 -0.169278D+01
               136           137           138           139           140 
      1  -0.285525D+01  0.321611D+01 -0.821882D+00  0.114698D+01 -0.138638D+01
      2  -0.852772D+01  0.227414D+01 -0.147990D+01  0.255798D+01 -0.712021D+00
      3   0.800889D+00 -0.156521D+01  0.754227D+00  0.781829D+00  0.111452D+01
               141           142           143           144           145 
      1  -0.505059D+00 -0.186929D+01  0.398946D+01 -0.290958D+01  0.191413D+01
      2   0.138930D+00 -0.404644D+01  0.445674D+00  0.346367D+00  0.421628D+01
      3  -0.328049D+00  0.759843D+00 -0.246578D+01  0.176910D+01  0.304701D+01
               146           147           148           149           150 
      1  -0.949174D+00 -0.245145D+01  0.959109D+00  0.992914D-01 -0.370134D+01
      2   0.493710D+00 -0.131159D+01  0.284212D+00 -0.170547D-01  0.541758D+00
      3   0.117693D+00 -0.232626D+01  0.165554D+01 -0.230729D+00 -0.733375D+00
               151           152           153           154           155 
      1  -0.176839D+01  0.211144D+01  0.602705D+01  0.327857D+01  0.155699D+01
      2  -0.453311D+01 -0.501347D+00 -0.573518D+00 -0.533017D+01  0.170031D-01
      3  -0.257255D+01  0.539819D+00  0.232842D+01 -0.634635D+01 -0.104852D+01
               156           157           158           159           160 
      1   0.281061D+01 -0.136359D+01  0.502060D+00 -0.360682D+01  0.289295D+01
      2  -0.643282D+00  0.939172D+00  0.748975D-01 -0.134757D+01 -0.252893D+01
      3  -0.284023D+01  0.345499D+01  0.436669D+00  0.902731D+00 -0.303708D+01
               161           162           163           164           165 
      1   0.120919D+01  0.471614D+01 -0.135493D+01 -0.428838D+00  0.131317D+01
      2  -0.417487D+00  0.185608D+01 -0.607887D+01  0.674012D+00  0.487751D+01
      3  -0.142849D+01 -0.178917D+01 -0.105565D+01 -0.377867D+01  0.816543D+00
               166           167           168           169           170 
      1  -0.212470D+00 -0.108542D+00 -0.197019D+01  0.278030D+01  0.828632D+00
      2   0.176422D+01 -0.341200D+01 -0.460479D+01  0.472213D+01 -0.861500D+01
      3  -0.481316D+01  0.223118D+01  0.318090D+01  0.318444D+01  0.532127D+01
               171           172           173           174           175 
      1  -0.737089D+01  0.194436D+01 -0.148474D+01  0.162953D+01 -0.258339D+01
      2  -0.226214D+02  0.654564D+01 -0.241242D+01  0.444382D+01 -0.290479D+01
      3   0.406634D+01  0.261760D+01 -0.675466D+01  0.150381D-01 -0.538097D+01
               176           177           178           179           180 
      1   0.428846D+01 -0.462795D+01  0.170680D+01 -0.237308D+01  0.285538D+01
      2   0.749145D+01 -0.528723D+01  0.401119D+01 -0.659627D+01  0.404108D+01
      3   0.157047D+02 -0.393494D+01 -0.271680D+01 -0.828365D+01  0.388990D+01
               181           182           183           184           185 
      1   0.344008D+00 -0.528499D+00 -0.219137D+00  0.502243D-01  0.512104D+00
      2  -0.398167D+01  0.511334D+00  0.880651D+01 -0.139394D+00 -0.331594D+01
      3   0.651238D+01 -0.796365D+01 -0.877742D+00 -0.256356D+01  0.491244D+01
               186           187           188           189           190 
      1  -0.941895D+00 -0.507823D+00  0.107034D+01 -0.124988D+00  0.353979D+01
      2  -0.213216D+00  0.654506D+01  0.293223D+00 -0.920127D+00  0.225523D+01
      3   0.352011D+01  0.146833D+00  0.413536D+01 -0.387209D+00 -0.926439D+01
               191           192           193           194           195 
      1   0.496331D+01 -0.478252D+00  0.549851D+01  0.733943D+01  0.446010D+00
      2   0.472829D-02  0.600225D+01 -0.521930D-01  0.471613D+01  0.671622D+01
      3  -0.110459D+02 -0.344608D+01 -0.105641D+02 -0.189510D+02 -0.924888D+01
               196           197           198           199           200 
      1   0.992289D+00  0.288560D+01  0.683252D+00 -0.259663D+01  0.306465D+01
      2   0.275271D+01  0.324512D+01  0.353975D+01  0.561520D+01 -0.110170D+01
      3  -0.206204D+01 -0.554502D+01 -0.416098D+01  0.311651D+01 -0.601849D+01
               201           202           203           204           205 
      1  -0.178210D+01  0.276107D+01 -0.998861D+01  0.522229D+01 -0.206476D+01
      2   0.450407D+01 -0.101582D+01  0.897739D+01 -0.128570D+02  0.152315D+01
      3   0.313048D+01 -0.343332D+01  0.155050D+02 -0.102589D+02  0.250110D+01
               206           207           208           209           210 
      1   0.761509D+01 -0.570895D+01 -0.157203D+01 -0.239382D+01  0.129951D+01
      2  -0.815808D+01  0.136020D+02  0.206419D+02 -0.327291D+01 -0.797039D+01
      3  -0.872705D+01  0.898798D+01 -0.957617D+01  0.318593D+01  0.366950D+01
               211           212           213           214           215 
      1  -0.149131D+01  0.325478D+00  0.641807D-01  0.889146D+00  0.201407D+01
      2  -0.260398D+01  0.540096D+01  0.244909D+01 -0.871999D+01  0.136121D+01
      3   0.473802D+01 -0.335379D+01 -0.375404D+01  0.247458D+01 -0.231427D+01
               216           217           218           219           220 
      1  -0.465961D+00 -0.977274D+00  0.181717D+01  0.257698D+01  0.155136D+01
      2   0.565379D+01 -0.777426D+01  0.186047D+01 -0.110731D+01  0.151107D+01
      3  -0.172890D+01 -0.216025D+02  0.688960D+01  0.347954D+00  0.748266D+01
               221           222           223           224           225 
      1  -0.167924D+01 -0.122583D+01  0.210145D+01  0.367291D+00  0.214107D-01
      2  -0.936198D+00 -0.290869D+00 -0.340939D+01 -0.164382D+00 -0.176163D+01
      3  -0.724369D+01 -0.959855D+00  0.165546D+01 -0.287802D+01 -0.188937D+01
               226           227           228           229           230 
      1   0.170259D+01 -0.571142D+00 -0.129803D+01 -0.273107D+00  0.188985D+01
      2  -0.502207D+01 -0.361273D+00  0.260475D+01 -0.659978D+00 -0.242912D+01
      3  -0.228073D+01 -0.245367D+01 -0.118220D+01 -0.454130D+00  0.131494D+01
               231           232           233           234           235 
      1   0.192730D+01 -0.132500D+01  0.452226D+01  0.161947D+02 -0.451990D+01
      2  -0.390101D+01 -0.601100D+00  0.814447D+00 -0.316303D+02  0.401189D+01
      3   0.241363D+01 -0.114499D+01  0.454292D+01 -0.157564D+01 -0.704580D+01
               236           237           238           239           240 
      1  -0.446812D+01 -0.302823D+01 -0.545024D+01 -0.860981D+01 -0.387995D+01
      2   0.280391D+01  0.532543D+01  0.353598D+01  0.435774D+01  0.358171D+01
      3  -0.104494D+02  0.128404D+01 -0.688104D+01 -0.213857D+02 -0.701285D-01
               241           242           243           244           245 
      1  -0.236175D+01 -0.205562D+01 -0.844561D+00  0.349849D+00 -0.369123D+00
      2   0.367837D+01  0.333907D+01  0.225214D+00 -0.558723D+01  0.976537D-02
      3  -0.556660D+00 -0.496445D+01 -0.167061D+01 -0.266524D+01 -0.171696D+01
               246           247           248           249           250 
      1  -0.816270D+00 -0.162919D+00  0.133745D+00 -0.772287D+00 -0.128331D+01
      2   0.359775D+01  0.270439D+00 -0.279112D+01  0.413800D+01  0.129478D+01
      3  -0.565444D+00 -0.870473D+00 -0.105152D+01  0.301447D+01 -0.113313D+01
               251           252           253           254           255 
      1   0.264632D+01  0.320187D+01 -0.223937D+01  0.985969D+00 -0.217687D+01
      2   0.350294D+01 -0.189478D+02  0.151589D+02  0.347011D+01  0.613287D+01
      3   0.365440D+01 -0.196977D+01 -0.163660D+02 -0.141653D+02  0.290920D+00
               256           257           258           259           260 
      1  -0.147543D+01 -0.616575D+01 -0.393975D+01 -0.510047D+00  0.143365D+01
      2   0.432695D+01  0.469467D+01  0.598613D+01  0.347578D+01  0.506942D+01
      3  -0.519039D+01  0.215801D+02 -0.342164D+01  0.134995D+01 -0.598045D+01
               261           262           263           264           265 
      1   0.889336D+01  0.809413D+00 -0.155009D+01  0.394283D+00 -0.244639D+01
      2  -0.184228D+02 -0.620018D+00  0.109825D+00  0.862287D+00 -0.207347D+00
      3  -0.458963D+01  0.266178D+01 -0.376829D+01 -0.161395D+01 -0.320444D+01
               266           267           268           269           270 
      1   0.897600D+01 -0.156158D+01  0.456012D+00 -0.134936D+01  0.763626D+00
      2  -0.305381D+01 -0.452982D+01  0.191442D+00 -0.164020D+01 -0.951126D+00
      3   0.253688D+02  0.482582D+01  0.112425D+01 -0.417640D+01  0.155933D+01
               271           272           273           274           275 
      1   0.116202D+01  0.513540D+00 -0.204160D+01  0.901809D+00  0.626614D+00
      2  -0.840331D+01 -0.209883D+00  0.754308D+01 -0.773037D+00 -0.161373D+01
      3   0.155593D+02 -0.561564D+01 -0.118268D+01 -0.416115D+01  0.173743D+00
               276           277           278           279           280 
      1  -0.942121D-01 -0.220906D+01  0.703032D+00 -0.917453D-01  0.147509D+01
      2  -0.844623D+00  0.479334D+01 -0.353322D+00 -0.472514D+00 -0.122228D+01
      3   0.101853D+01 -0.146638D+01  0.191240D+01  0.213300D+01 -0.531902D+01
               281           282           283           284           285 
      1  -0.745940D+00  0.151667D+01 -0.328401D+00  0.519714D+01 -0.391916D+01
      2  -0.957253D+00 -0.118665D+01 -0.773366D+00 -0.802078D-01  0.298471D+01
      3   0.765789D+01 -0.279152D+00  0.456717D+01 -0.310937D+02  0.562458D+00
               286           287           288           289           290 
      1   0.701012D+00 -0.133611D+01  0.438944D+00 -0.182848D+01 -0.579398D+00
      2  -0.158797D+01  0.303828D+01  0.548943D+00  0.436582D+01  0.184824D-01
      3  -0.122426D+01  0.366033D+01 -0.332163D+01  0.180291D+01  0.961340D+00
               291           292           293           294           295 
      1   0.476271D+00 -0.246927D+00 -0.256079D+01  0.949465D+00 -0.307605D+00
      2  -0.165638D+01  0.129196D+01  0.241263D+01 -0.304361D+01 -0.171243D+01
      3   0.113860D+01  0.102225D+01  0.705350D+00 -0.207638D+01  0.150441D+01
               296           297 
      1   0.326954D+01 -0.111561D+02
      2  -0.687638D-01  0.248414D+02
      3  -0.417034D+01  0.103819D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192833D+01 -0.822263D+01  0.202992D+02  0.122544D+02 -0.959681D+00
      2   0.665868D+01  0.369899D+01 -0.773438D+01 -0.321250D+01  0.258154D+01
      3  -0.858701D+01  0.452364D+01 -0.125648D+02 -0.904186D+01 -0.162185D+01
      4  -0.727032D+00  0.255683D+01 -0.702268D+00  0.854001D+01  0.520095D+01
      5   0.214598D+02 -0.152878D+00 -0.765816D+01 -0.933530D+01 -0.340386D+01
      6  -0.680453D+00 -0.329124D+01  0.225526D+01 -0.165757D+01  0.392493D+01
                 6             7             8             9            10 
      1  -0.181777D+02 -0.195830D+02 -0.955138D+01  0.562888D+01  0.455448D+02
      2   0.197406D+01  0.319987D+01  0.246751D+01  0.380499D+01 -0.221901D+02
      3   0.162037D+02  0.163832D+02  0.708387D+01 -0.943387D+01 -0.233548D+02
      4  -0.412245D+01  0.401927D+01 -0.204385D+01 -0.465931D+01 -0.886582D+01
      5  -0.299364D+01  0.972246D+01 -0.420524D+01  0.551309D+01 -0.940850D+01
      6   0.119998D+02 -0.667463D+01  0.503457D+01  0.140116D+02  0.319296D+01
                11            12            13            14            15 
      1   0.837821D+01 -0.201534D+01  0.144645D+02 -0.272976D+01  0.616348D+01
      2  -0.760529D+01  0.348467D+01 -0.128642D+02  0.740541D+01 -0.817682D+00
      3  -0.772918D+00 -0.146932D+01 -0.160027D+01 -0.467564D+01 -0.534580D+01
      4   0.284459D+01 -0.309965D+01  0.158095D+02 -0.628316D+01 -0.675195D+00
      5  -0.378161D+01  0.872308D+01  0.128596D+02 -0.179538D+00 -0.291889D+01
      6   0.759459D+00 -0.634863D+01 -0.452088D+01  0.418952D+01  0.870588D+01
                16            17            18            19            20 
      1  -0.906368D+01  0.581368D+01 -0.206630D+02 -0.247694D+01  0.490244D+01
      2  -0.174935D+01  0.431527D+01  0.382618D+01 -0.235453D+01 -0.185543D+01
      3   0.108130D+02 -0.101289D+02  0.168368D+02  0.483147D+01 -0.304701D+01
      4   0.135879D+02  0.199877D+00 -0.418089D+01  0.368816D+01 -0.683833D+00
      5  -0.151348D+02 -0.352789D+01 -0.290352D+01 -0.190189D+02  0.285382D+01
      6  -0.538390D+01  0.264344D+01 -0.427241D+01  0.375896D+01  0.470834D+01
                21            22            23            24            25 
      1  -0.237175D+02 -0.829858D+01 -0.538153D+01 -0.509075D+01  0.215229D+02
      2   0.677156D+01 -0.204738D+01  0.665989D+01  0.279311D-01  0.374111D+00
      3   0.169460D+02  0.103460D+02 -0.127836D+01  0.506282D+01 -0.218970D+02
      4   0.279666D+01  0.352072D+01 -0.592386D+00  0.318396D+01  0.415677D+01
      5  -0.716773D+00  0.146535D+01  0.106150D+01  0.720251D+01  0.134470D+02
      6   0.404667D+01  0.327907D+01  0.220725D+01  0.672555D+01  0.100684D+02
                26            27            28            29            30 
      1  -0.880160D+01  0.794467D+01  0.119703D+02 -0.406386D+00  0.115568D+01
      2   0.195224D+01 -0.258186D+01 -0.101654D+01  0.470331D+01  0.418902D+00
      3   0.684936D+01 -0.536281D+01 -0.109537D+02 -0.429692D+01 -0.157458D+01
      4   0.329181D+01  0.649923D+01  0.241829D+02  0.169975D+01 -0.144870D+01
      5   0.512538D+01 -0.563934D+01  0.433347D+01 -0.940169D+00  0.622813D+01
      6   0.139083D+01  0.104060D+02  0.279114D+01 -0.109732D+01  0.407186D+01
                31            32            33            34            35 
      1  -0.771432D+00 -0.150425D+01  0.765343D+01 -0.839128D+01  0.951232D+01
      2   0.624594D+01  0.455545D+01 -0.229984D+01  0.108034D+01  0.234537D+01
      3  -0.547451D+01 -0.305120D+01 -0.535359D+01  0.731094D+01 -0.118577D+02
      4   0.135462D+02 -0.108084D+00  0.165085D+01  0.106410D+02  0.452655D+01
      5   0.116592D+02  0.997835D+00  0.386964D+00 -0.183001D+02  0.190310D+01
      6  -0.814097D+00  0.377389D+01  0.588776D+01 -0.152870D+01  0.206537D+01
                36            37            38            39            40 
      1  -0.196054D+02  0.773095D+01 -0.129674D+02  0.205741D+02  0.355182D+01
      2   0.366905D+01  0.898786D+00  0.114344D+02 -0.113501D+02  0.494113D+01
      3   0.159363D+02 -0.862973D+01  0.153306D+01 -0.922398D+01 -0.849295D+01
      4   0.933191D+00 -0.105995D+02 -0.736436D+00  0.316846D+01  0.141364D+02
      5  -0.689587D+00  0.122944D+02  0.202600D+01 -0.105688D+02 -0.328558D+01
      6  -0.737859D+01 -0.348089D+00 -0.501850D+01  0.583714D+01 -0.334906D+00
                41            42            43            44            45 
      1  -0.960700D+01 -0.817873D+01 -0.160110D+02 -0.521683D+01  0.938714D+01
      2   0.158784D+02 -0.914099D+01  0.123960D+01 -0.273826D+01 -0.973330D+00
      3  -0.627141D+01  0.173197D+02  0.147714D+02  0.795509D+01 -0.841381D+01
      4   0.626245D+01 -0.249747D+01 -0.386305D+01 -0.143301D+01 -0.623490D+01
      5  -0.127857D+01 -0.132990D+01  0.665521D+01 -0.526999D+01  0.827551D+01
      6  -0.549429D+01  0.422988D+01 -0.894917D+01  0.223080D+00  0.912358D+01
                46            47            48            49            50 
      1  -0.659016D+01  0.101942D+02 -0.224686D+02 -0.199814D+01 -0.131326D+02
      2   0.143108D+01 -0.713663D+01  0.680936D+01 -0.733631D+01  0.220294D+02
      3   0.515908D+01 -0.305757D+01  0.156592D+02  0.933445D+01 -0.889678D+01
      4   0.118538D+02 -0.345735D+00  0.473106D+01  0.832459D+01 -0.663242D+01
      5  -0.120877D+02  0.512581D+01 -0.867531D+00  0.871792D+01  0.257477D+01
      6   0.384989D+01  0.386605D+01 -0.444199D+01 -0.123838D+01 -0.492655D+01
                51            52            53            54            55 
      1   0.508767D+01  0.334772D+02 -0.378966D+01  0.117990D+02 -0.266652D+02
      2  -0.109789D+02 -0.971962D+01 -0.211282D+00 -0.666679D+01  0.124726D+02
      3   0.589124D+01 -0.237576D+02  0.400094D+01 -0.513224D+01  0.141926D+02
      4   0.147542D+01 -0.405678D+01  0.109974D+00  0.755501D+01 -0.846589D+01
      5   0.731370D+01  0.574626D+01  0.670837D+01 -0.533237D+01 -0.556362D+01
      6   0.383415D+01  0.110871D+02 -0.346623D+01  0.733858D+01  0.128437D+01
                56            57            58            59            60 
      1  -0.124868D+02 -0.633967D+01 -0.330947D+02 -0.259312D+02  0.709095D+00
      2   0.937012D+01  0.695425D+00  0.243820D+02  0.581671D+01  0.629150D+01
      3   0.311664D+01  0.564425D+01  0.871271D+01  0.201145D+02 -0.700060D+01
      4  -0.278706D+02  0.417816D+00 -0.475446D+02  0.126549D+02 -0.151935D+02
      5   0.587256D-01 -0.114885D+02 -0.146315D+01 -0.145892D+02  0.138011D+02
      6   0.658249D+00  0.196980D+01  0.105380D+01  0.391043D+01 -0.465526D+01
                61            62            63            64            65 
      1  -0.148202D+02  0.660026D+00 -0.179365D+01 -0.860164D+02  0.309085D+02
      2  -0.112267D+01  0.799432D+01  0.661062D+01  0.467165D+02 -0.142103D+02
      3   0.159429D+02 -0.865435D+01 -0.481696D+01  0.392999D+02 -0.166982D+02
      4  -0.949906D+00 -0.191288D+02  0.241555D+02  0.296332D+02  0.232333D+02
      5  -0.231544D+02  0.208263D+02  0.359005D+02  0.255466D+02 -0.246683D+01
      6   0.100434D+02 -0.546333D+01 -0.117760D+02  0.654952D+00 -0.256417D+01
                66            67            68            69            70 
      1   0.249086D+02  0.632930D+02  0.254126D+02 -0.765899D+01  0.360415D+02
      2  -0.137882D+02 -0.300208D+02 -0.127326D+02  0.766122D+01 -0.151371D+02
      3  -0.111204D+02 -0.332722D+02 -0.126799D+02 -0.223190D-02 -0.209045D+02
      4  -0.119512D+01  0.310045D+02  0.843417D+01  0.230727D+02  0.225321D+01
      5   0.469591D+01 -0.225676D+01  0.243683D+02 -0.192000D+02 -0.129879D+01
      6   0.115811D+01  0.124412D+01  0.583989D+01 -0.422939D+01 -0.261579D+01
                71            72            73            74            75 
      1  -0.433828D+01  0.160169D+01  0.348822D+02 -0.236189D+02 -0.206701D+02
      2   0.743743D+01 -0.394912D+00 -0.178210D+02  0.579530D+01  0.111526D+02
      3  -0.309915D+01 -0.120678D+01 -0.170611D+02  0.178236D+02  0.951750D+01
      4   0.220930D+02 -0.158991D+02 -0.225294D+02 -0.314792D+02 -0.564330D+01
      5  -0.165186D+02 -0.324956D+02 -0.130783D+02 -0.806931D+01 -0.174101D+02
      6  -0.493316D+01 -0.464522D+01 -0.148008D+02 -0.929685D+01 -0.509354D+00
                76            77            78            79            80 
      1  -0.319587D+02 -0.274385D+02 -0.957977D+00 -0.247002D+02  0.129906D+01
      2   0.809047D+01  0.182711D+02 -0.109566D+02  0.120634D+02 -0.110605D+02
      3   0.238682D+02  0.916742D+01  0.119146D+02  0.126368D+02  0.976143D+01
      4  -0.408426D+02 -0.103499D+02 -0.358361D+02 -0.203354D+01 -0.269909D+02
      5  -0.876411D+01 -0.424901D+02  0.198930D+02 -0.100940D+02  0.188446D+02
      6  -0.143425D+02 -0.499524D+01 -0.108208D+02  0.188393D+01 -0.878797D+01
                81            82            83            84            85 
      1  -0.935940D+01  0.356047D+02 -0.217134D+02 -0.122135D+02 -0.307170D+02
      2  -0.429940D+00 -0.351414D+02 -0.289530D-01  0.602958D+01  0.231551D+01
      3   0.978934D+01 -0.463326D+00  0.217424D+02  0.618392D+01  0.284015D+02
      4   0.163612D+02 -0.185643D+02 -0.383069D+02 -0.884609D+00 -0.388771D+02
      5   0.148285D+02 -0.149106D+02  0.591469D+01 -0.399682D+01  0.390879D+01
      6   0.123702D+02  0.786579D+00  0.428446D+01 -0.260620D+01  0.275626D+01
                86            87            88            89            90 
      1  -0.264642D+02  0.843861D+01 -0.137904D+02  0.319707D+01  0.180629D+01
      2   0.544990D+00 -0.659189D+01  0.188204D+01 -0.776164D+01  0.223690D+02
      3   0.259192D+02 -0.184671D+01  0.119084D+02  0.456457D+01 -0.241753D+02
      4  -0.294157D+02 -0.155347D+02 -0.100366D+02 -0.220511D+02  0.101432D+02
      5  -0.135022D+02  0.189722D+02 -0.311830D+01  0.130280D+02  0.472602D+02
      6  -0.663910D+01  0.100224D+02 -0.126507D+01  0.946321D+01  0.112671D+02
                91            92            93            94            95 
      1   0.123684D+02 -0.696823D+01 -0.292441D+01 -0.124629D+02 -0.157140D+02
      2  -0.877397D+01 -0.402687D+00 -0.245386D+00  0.557222D+01  0.694465D+01
      3  -0.359447D+01  0.737092D+01  0.316980D+01  0.689067D+01  0.876939D+01
      4  -0.222291D+02 -0.138334D+02 -0.707758D+01 -0.361001D+02  0.143244D+02
      5  -0.842299D+01 -0.621133D+01 -0.841779D+01 -0.115141D+02 -0.254913D+01
      6  -0.387484D+01 -0.197668D+01 -0.379997D+01 -0.194829D+01 -0.461626D+01
                96            97            98            99           100 
      1  -0.621337D+01 -0.159185D+02 -0.801184D+01 -0.185753D+01 -0.559967D+01
      2   0.176188D+00  0.667159D+00 -0.826451D+00  0.746722D+01  0.597171D+00
      3   0.603718D+01  0.152513D+02  0.883829D+01 -0.560969D+01  0.500250D+01
      4  -0.198551D+01 -0.170893D+02 -0.128588D+02 -0.152992D+02  0.120745D+02
      5  -0.124136D+02 -0.150902D+02 -0.140831D+02  0.299094D+02 -0.152982D+02
      6  -0.238794D+01 -0.734319D+01 -0.282310D+01  0.855314D+01  0.545500D+01
               101           102           103           104           105 
      1   0.533704D+01 -0.724361D+01  0.185360D+02  0.296028D+01  0.922259D+01
      2   0.162633D+00  0.507606D+01 -0.121573D+02  0.360780D+00 -0.266030D+01
      3  -0.549967D+01  0.216755D+01 -0.637872D+01 -0.332106D+01 -0.656229D+01
      4  -0.313758D+01  0.669695D+01 -0.426143D+01 -0.114440D+02 -0.351801D+01
      5   0.582225D+01 -0.282527D+01  0.785082D+01 -0.338218D+01  0.216848D+02
      6  -0.581579D+01  0.564326D+01 -0.186292D+01 -0.758963D+00 -0.147436D+02
               106           107           108           109           110 
      1  -0.210048D+02  0.886135D+01 -0.419304D+01  0.418047D+02 -0.123333D+02
      2   0.779134D+01  0.231402D+01  0.216881D+01 -0.195068D+02  0.344803D+01
      3   0.132135D+02 -0.111754D+02  0.202423D+01 -0.222979D+02  0.888527D+01
      4   0.179409D+02 -0.165008D+02  0.180158D+02 -0.242736D+02  0.209161D+02
      5  -0.169682D+02  0.153852D+02 -0.236987D+02  0.291996D+02 -0.596178D+01
      6   0.100761D+02 -0.165605D+02  0.671141D+01 -0.110714D+02  0.403104D+01
               111           112           113           114           115 
      1   0.227845D+02 -0.149597D+02  0.314194D+01 -0.156075D+01  0.358414D+02
      2  -0.132921D+02  0.174719D+01  0.936527D+01 -0.187095D+01 -0.174524D+02
      3  -0.949240D+01  0.132125D+02 -0.125072D+02  0.343169D+01 -0.183890D+02
      4  -0.100679D+02  0.258704D+02 -0.240201D+02  0.177825D+02 -0.226528D+02
      5   0.218060D+02 -0.117931D+02  0.169369D+02 -0.189758D+02  0.332131D+02
      6  -0.780667D+01  0.612007D+01 -0.118481D+02  0.181485D+02 -0.110304D+02
               116           117           118           119           120 
      1  -0.244768D+01  0.992979D+01 -0.268539D+00 -0.918237D+01 -0.119291D+02
      2  -0.465553D+01 -0.135659D+02 -0.262460D+01  0.112189D+02  0.732809D+01
      3   0.710322D+01  0.363615D+01  0.289314D+01 -0.203655D+01  0.460102D+01
      4   0.303172D+02 -0.176479D+02  0.125822D+01 -0.470429D+01  0.361133D+01
      5  -0.157649D+02  0.555089D+02 -0.743510D+01 -0.757756D+00  0.586107D+01
      6   0.159951D+02 -0.278379D+02  0.365495D+01  0.530887D+01  0.145188D+01
               121           122           123           124           125 
      1  -0.348967D+01 -0.446078D+01 -0.539629D+01 -0.107776D+02 -0.847474D+01
      2   0.109570D+02 -0.141212D+02  0.218668D+01  0.580433D+01  0.804192D+01
      3  -0.746732D+01  0.185820D+02  0.320961D+01  0.497324D+01  0.432818D+00
      4  -0.680117D+01  0.350726D+02 -0.315324D+01  0.113859D+02 -0.161954D+02
      5   0.154769D+01 -0.243060D+01 -0.408203D+01  0.149793D+02 -0.151159D+02
      6   0.290972D+01  0.158183D+01  0.101500D+02 -0.526864D+01  0.196704D+02
               126           127           128           129           130 
      1  -0.105064D+02  0.252948D+00  0.939829D+00  0.235935D+01 -0.192103D+01
      2  -0.598402D+01 -0.545825D+01 -0.162770D+01  0.533387D+01 -0.894907D+00
      3   0.164904D+02  0.520531D+01  0.687872D+00 -0.769322D+01  0.281594D+01
      4  -0.134600D+02  0.197972D+01  0.272558D+01 -0.811755D+00  0.195373D+01
      5  -0.303136D+02 -0.927248D+01 -0.258219D+01  0.113137D+02 -0.269090D+01
      6   0.219744D+02  0.234651D+00 -0.174269D+01 -0.114364D+01 -0.143859D+01
               131           132           133           134           135 
      1  -0.294429D+01  0.691557D+01  0.344917D+01  0.384116D+01 -0.227276D+02
      2  -0.993848D+00  0.314442D+01  0.692727D+01  0.235005D+01 -0.156745D+02
      3   0.393814D+01 -0.100600D+02 -0.103764D+02 -0.619121D+01  0.384021D+02
      4   0.130500D+01 -0.174997D+01 -0.205084D+01 -0.353093D+01  0.236598D+01
      5  -0.296360D+01  0.374745D+01  0.121135D+02  0.413782D+01 -0.195888D+02
      6  -0.297702D+01  0.231017D+01  0.568909D+00  0.537881D+01 -0.926849D+00
               136           137           138           139           140 
      1   0.346208D+01 -0.285939D+00 -0.145343D+01 -0.864264D-01 -0.185386D+01
      2  -0.571192D+01  0.913658D+00 -0.420142D+01  0.215292D+01 -0.574334D+00
      3   0.224985D+01 -0.627720D+00  0.565485D+01 -0.206649D+01  0.242820D+01
      4  -0.288090D+01  0.376904D+01 -0.104003D+01  0.251169D+01 -0.308372D+01
      5   0.114607D+02 -0.313475D+01  0.958089D+01 -0.452994D+01  0.352304D+01
      6  -0.717813D+00  0.195349D+01 -0.762103D+00  0.833685D+00 -0.311836D+01
               141           142           143           144           145 
      1   0.492830D+01 -0.357881D+01  0.438085D+01 -0.123449D+02 -0.300023D+01
      2   0.216216D+01 -0.536768D+01  0.113740D+01 -0.843419D+01 -0.247162D+01
      3  -0.709047D+01  0.894648D+01 -0.551825D+01  0.207791D+02  0.547185D+01
      4   0.130823D+01 -0.118813D+01  0.264943D+01 -0.218236D+01  0.525922D+01
      5  -0.562680D+01  0.118351D+02 -0.421927D+01  0.148662D+02 -0.855985D+01
      6   0.241647D+01 -0.182176D+01  0.479436D+01 -0.338228D+01 -0.588213D+01
               146           147           148           149           150 
      1  -0.182405D+01  0.541976D+01 -0.272498D+01 -0.539427D+01  0.919889D+01
      2   0.538460D+00  0.264342D+01 -0.254763D+00  0.147527D+01 -0.297651D+00
      3   0.128559D+01 -0.806318D+01  0.297974D+01  0.391900D+01 -0.890124D+01
      4   0.359014D+01 -0.542962D+01  0.235101D+01  0.203329D+01 -0.298951D+01
      5  -0.337107D+01  0.111851D+02 -0.301327D+01 -0.278357D+01  0.370296D+01
      6  -0.356087D+01  0.610649D+01 -0.316049D+01 -0.630195D+01  0.975225D+01
               151           152           153           154           155 
      1   0.745972D+01  0.110136D+02 -0.293583D+02  0.372012D+01  0.275264D+01
      2   0.185313D+01 -0.343735D+01 -0.545442D+01 -0.264619D+01 -0.342520D+01
      3  -0.931286D+01 -0.757620D+01  0.348127D+02 -0.107393D+01  0.672561D+00
      4  -0.589237D+01 -0.500817D+01  0.788480D+01 -0.101954D+02  0.809831D+01
      5   0.103863D+02  0.488895D+01 -0.163276D+02  0.158551D+02 -0.538801D+01
      6   0.846825D+01  0.130258D+02 -0.240467D+02 -0.827093D+01  0.597976D+01
               156           157           158           159           160 
      1  -0.774545D+00  0.787420D+00 -0.390312D+01  0.536797D+01 -0.373212D+01
      2  -0.172024D+01 -0.156163D+00  0.254802D+01 -0.106955D+01 -0.159606D+01
      3   0.249479D+01 -0.631256D+00  0.135509D+01 -0.429841D+01  0.532818D+01
      4  -0.786820D+01  0.618199D+01 -0.629866D+01  0.633557D+01 -0.851282D+01
      5   0.134374D+02 -0.688347D+01  0.572795D+01 -0.843618D+01  0.148024D+02
      6  -0.813373D+01  0.589737D+01 -0.708070D+01  0.911386D+01 -0.102761D+02
               161           162           163           164           165 
      1   0.829686D+01 -0.135753D+02  0.749394D+01 -0.230990D+01 -0.847738D+01
      2  -0.492597D+01 -0.140938D+01 -0.706996D+01  0.657139D+00  0.615575D+01
      3  -0.337089D+01  0.149847D+02 -0.423986D+00  0.165276D+01  0.232163D+01
      4   0.773841D+01 -0.104908D+02 -0.573909D+01  0.952553D+01  0.653600D+01
      5  -0.762443D+01  0.195525D+02 -0.152521D+02  0.469586D+01  0.153367D+02
      6   0.120540D+02 -0.183451D+02  0.460480D+01 -0.187742D+01 -0.328117D+01
               166           167           168           169           170 
      1   0.441950D+01  0.107757D+01 -0.253020D+01 -0.138810D+02 -0.474520D+01
      2  -0.330993D+01  0.407626D+00  0.115302D+01  0.126992D+02  0.633701D+00
      3  -0.110957D+01 -0.148520D+01  0.137718D+01  0.118179D+01  0.411150D+01
      4   0.116201D+02 -0.992025D+01 -0.942690D+01  0.114206D+02 -0.135613D+02
      5   0.484387D+01 -0.941758D+01 -0.957263D+01  0.264722D+02 -0.178221D+02
      6  -0.344517D+01  0.650588D+01  0.938282D+01 -0.890841D+01  0.116936D+02
               171           172           173           174           175 
      1  -0.512902D+01  0.186980D+02 -0.100481D+02  0.620732D+01 -0.103867D+02
      2  -0.115857D+02 -0.306946D+01 -0.563268D+00 -0.159943D+01 -0.430627D+01
      3   0.167147D+02 -0.156285D+02  0.106114D+02 -0.460789D+01  0.146930D+02
      4  -0.210413D+02 -0.222819D+02  0.246977D+02 -0.529892D+01  0.322294D+02
      5  -0.494113D+02  0.838698D+01 -0.312310D+01  0.674373D+01 -0.447288D+01
      6   0.196969D+02 -0.268390D+01  0.160681D+00 -0.157495D+01  0.152171D+01
               176           177           178           179           180 
      1   0.350927D+01 -0.511815D+00  0.162122D+02 -0.118234D-01  0.226267D+01
      2   0.184356D+02 -0.416268D+01 -0.418335D+01 -0.688652D+01  0.612408D+00
      3  -0.219449D+02  0.467450D+01 -0.120288D+02  0.689834D+01 -0.287508D+01
      4  -0.470245D+02  0.114396D+02 -0.129978D+02  0.207710D+02 -0.136266D+02
      5   0.101173D+02 -0.829412D+01  0.967368D+01 -0.118878D+02  0.693481D+01
      6  -0.352235D+01  0.505480D+01 -0.399304D+01  0.599689D+01 -0.368947D+01
               181           182           183           184           185 
      1   0.141090D+03 -0.176294D+02 -0.179623D+02 -0.259210D+02  0.145187D+02
      2  -0.719683D+02  0.912534D+01  0.905428D+01  0.129113D+02 -0.566531D+01
      3  -0.691220D+02  0.850410D+01  0.890800D+01  0.130097D+02 -0.885338D+01
      4  -0.143831D+02  0.130745D+02  0.180072D+01  0.174042D+02 -0.897816D+01
      5  -0.216225D+02  0.252849D+01  0.165646D+02  0.290975D+01 -0.679770D+01
      6   0.983344D+00 -0.124041D+01  0.108070D+01 -0.151072D+01  0.118253D-01
               186           187           188           189           190 
      1   0.349805D+01 -0.204753D+02  0.264499D+01  0.176235D+02  0.352480D+02
      2  -0.233914D+01  0.116232D+02 -0.227045D+01 -0.107506D+02 -0.158209D+02
      3  -0.115890D+01  0.885208D+01 -0.374545D+00 -0.687294D+01 -0.194271D+02
      4  -0.624145D+01  0.990362D+00 -0.574419D+01 -0.649403D+00  0.333548D+02
      5  -0.105539D+01  0.238138D+02 -0.969720D+00 -0.551697D+01  0.274968D+02
      6   0.229461D+01  0.162532D+00  0.247632D+01  0.784755D+00  0.122977D+02
               191           192           193           194           195 
      1   0.216038D+02  0.141258D+02  0.250877D+02  0.157983D+02  0.587365D+01
      2  -0.639129D+01 -0.985671D+01 -0.688628D+01  0.160037D+01 -0.308050D+01
      3  -0.152125D+02 -0.426907D+01 -0.182014D+02 -0.173986D+02 -0.279315D+01
      4   0.301171D+02  0.131077D+02  0.385241D+02  0.464249D+02  0.227324D+02
      5   0.165138D+02  0.218291D+02  0.230505D+02  0.266158D+02  0.203208D+02
      6   0.107928D+02  0.761867D+01  0.146004D+02  0.197967D+02  0.141496D+02
               196           197           198           199           200 
      1   0.827275D+01  0.239503D+01  0.754362D+01  0.111512D+02 -0.738212D+01
      2  -0.688164D+01 -0.223279D+01 -0.611315D+01 -0.952241D+01  0.602804D+01
      3  -0.139112D+01 -0.162237D+00 -0.143047D+01 -0.162877D+01  0.135408D+01
      4   0.102534D+02  0.127715D+02  0.125382D+02 -0.808395D+01  0.126890D+02
      5   0.189291D+02  0.130377D+02  0.154972D+02  0.176679D+02 -0.815121D+01
      6   0.741238D+01  0.102860D+02  0.791585D+01 -0.196505D+01  0.431350D+01
               201           202           203           204           205 
      1   0.126957D+02 -0.118056D+02  0.700674D+01 -0.362191D+01  0.104899D+02
      2  -0.109049D+02  0.102575D+02 -0.876701D+01  0.133252D+02 -0.111720D+02
      3  -0.179084D+01  0.154811D+01  0.176027D+01 -0.970330D+01  0.682125D+00
      4  -0.577700D+01  0.139950D+02 -0.290192D+02  0.217554D+02 -0.597183D+01
      5   0.181088D+02 -0.150219D+02  0.246818D+02 -0.304030D+02  0.190595D+02
      6  -0.187457D+01  0.526857D+01 -0.130977D+02  0.969948D+01 -0.252660D+01
               206           207           208           209           210 
      1  -0.124915D+01  0.293039D+01 -0.465434D+02  0.944854D+01  0.137062D+02
      2   0.933777D+01 -0.180191D+02  0.226799D+02 -0.536111D+01 -0.185152D+01
      3  -0.808862D+01  0.150887D+02  0.238635D+02 -0.408742D+01 -0.118547D+02
      4   0.164302D+02 -0.180044D+02 -0.378331D+01 -0.257751D+01 -0.119961D+01
      5  -0.195648D+02  0.349638D+02 -0.103291D+02 -0.112339D+01 -0.752009D+01
      6   0.931289D+01 -0.811995D+01  0.587857D+01 -0.487138D+01 -0.612936D+01
               211           212           213           214           215 
      1   0.813169D+01 -0.824994D+01 -0.625830D+01  0.101985D+02 -0.403058D+01
      2  -0.387968D+01  0.487371D+01  0.377518D+01 -0.182608D+01  0.196191D+01
      3  -0.425202D+01  0.337623D+01  0.248311D+01 -0.837242D+01  0.206867D+01
      4   0.159071D+01  0.336621D+01  0.562851D+01  0.160184D+00  0.373811D+01
      5   0.696097D-01  0.462783D+01  0.263480D+00  0.568122D+00 -0.107560D+01
      6  -0.242208D+01  0.421193D+01  0.528760D+01 -0.368728D+01  0.431242D+01
               216           217           218           219           220 
      1  -0.112062D+02 -0.433585D+02  0.138534D+02  0.181198D+01  0.916050D+01
      2   0.152648D+01  0.289229D+02 -0.136166D+02 -0.199860D+01 -0.821919D+01
      3   0.967972D+01  0.144356D+02 -0.236824D+00  0.186620D+00 -0.941304D+00
      4  -0.121725D+01 -0.129576D+02 -0.365756D+01  0.341332D+01  0.200172D+01
      5   0.298665D+01  0.121824D+02  0.357316D+00 -0.597330D+01 -0.124419D+01
      6   0.260739D+01  0.480700D+00  0.324692D+01 -0.484548D+01  0.146090D+01
               221           222           223           224           225 
      1  -0.117858D+02  0.170576D+00  0.574950D+01 -0.286284D+01 -0.656274D+01
      2   0.134177D+02  0.647632D+00 -0.380487D+01  0.402437D+01  0.116110D+01
      3  -0.163191D+01 -0.818208D+00 -0.194462D+01 -0.116152D+01  0.540164D+01
      4   0.444892D+01  0.106345D+01  0.174834D+01  0.411237D+01 -0.160529D+01
      5   0.321091D+01 -0.419216D+00 -0.258123D+01  0.132477D+00 -0.241913D+01
      6  -0.111020D+01  0.953629D+00 -0.296916D+01  0.128739D+01 -0.361799D+00
               226           227           228           229           230 
      1   0.446204D+00  0.197679D+01 -0.904165D+01 -0.110877D+01  0.693760D+00
      2  -0.272329D+01  0.469502D+00  0.694651D+01  0.239735D+01 -0.217211D+01
      3   0.227709D+01 -0.244629D+01  0.209514D+01 -0.128859D+01  0.147835D+01
      4   0.285945D+01  0.641034D+01 -0.302301D+01  0.460417D+01  0.232357D+00
      5  -0.107811D+02 -0.127409D+01  0.133016D+02  0.837324D+00 -0.628035D+01
      6  -0.286953D+01 -0.131019D+01  0.175324D+01 -0.100054D+01 -0.483811D+00
               231           232           233           234           235 
      1   0.375712D+00 -0.847066D+01  0.196084D+01 -0.131026D+02  0.276929D+02
      2  -0.478943D+01  0.842483D+01 -0.352914D+01 -0.246777D+02 -0.917670D+00
      3   0.441372D+01  0.458309D-01  0.156831D+01  0.377803D+02 -0.267753D+02
      4  -0.531882D+01 -0.511222D+01 -0.871557D+01  0.400053D+01  0.402341D+02
      5  -0.824551D+01  0.165537D+02  0.349506D+01 -0.680207D+02 -0.365367D+01
      6   0.387590D+01  0.427228D+01  0.774699D+01 -0.244419D+02 -0.298075D+01
               236           237           238           239           240 
      1   0.205505D+02  0.215745D+01  0.183619D+02  0.107245D+02 -0.299871D+00
      2   0.440077D+01 -0.287298D-01  0.770801D+01  0.263010D+02  0.123519D+01
      3  -0.249513D+02 -0.212872D+01 -0.260700D+02 -0.370255D+02 -0.935320D+00
      4   0.426803D+02 -0.111868D+01  0.453247D+02  0.664669D+02 -0.506128D+00
      5  -0.541963D+01  0.914699D+01 -0.503240D+01 -0.402117D+01  0.671908D+01
      6  -0.456208D+01  0.522961D+01 -0.453555D+01 -0.758985D+01  0.592163D+01
               241           242           243           244           245 
      1   0.690071D+01  0.166834D+01  0.378931D+01  0.733556D+00  0.334165D+01
      2   0.126160D+00  0.513955D+01 -0.105591D+01 -0.415670D+01 -0.152228D+01
      3  -0.702687D+01 -0.680789D+01 -0.273340D+01  0.342314D+01 -0.181937D+01
      4   0.772083D+01  0.123745D+02  0.838915D+01  0.605803D+01  0.529811D+01
      5   0.775960D+01  0.678536D+01 -0.165650D+01 -0.122562D+02 -0.155827D+01
      6   0.453657D+01  0.498422D+01  0.174126D+00 -0.364084D+01 -0.521805D+00
               246           247           248           249           250 
      1  -0.681254D+01  0.414302D+01  0.150762D+00  0.205674D+01 -0.787581D+01
      2   0.526170D+01 -0.169931D+01 -0.198827D+00 -0.471841D+00  0.829532D+01
      3   0.155084D+01 -0.244372D+01  0.480645D-01 -0.158490D+01 -0.419513D+00
      4  -0.268359D+01  0.897656D+01  0.432018D+01 -0.734810D+01 -0.400833D+01
      5   0.121628D+02 -0.214887D+01 -0.737122D+01  0.845038D+01  0.167519D+02
      6   0.211971D+01 -0.180783D+01 -0.397414D+01  0.670072D+01  0.308136D+01
               251           252           253           254           255 
      1   0.221772D+01 -0.583245D+01 -0.810295D+02 -0.774526D+01  0.100043D+02
      2   0.534032D+00 -0.129160D+02  0.415098D+02  0.128607D+02 -0.602426D+01
      3  -0.275175D+01  0.187485D+02  0.395197D+02 -0.511545D+01 -0.398005D+01
      4  -0.977697D+01  0.873629D+01 -0.139091D+02  0.235197D+02  0.832409D+01
      5   0.727149D+01 -0.408013D+02  0.121299D+02  0.486916D+01  0.922943D+01
      6   0.607079D+01 -0.114673D+02  0.860507D+01  0.380439D+01  0.358539D+01
               256           257           258           259           260 
      1   0.135115D+02  0.348288D+02  0.383905D+00  0.270383D+02  0.189255D+01
      2  -0.172137D-01 -0.361659D+02 -0.636710D-01 -0.991168D+01  0.321479D+01
      3  -0.134943D+02  0.133707D+01 -0.320234D+00 -0.171267D+02 -0.510734D+01
      4   0.319391D+02 -0.178660D+02  0.106350D+02  0.200560D+02  0.178711D+02
      5   0.102747D+02  0.135757D+02  0.120386D+02  0.146983D+02  0.110197D+02
      6   0.622408D+01  0.367200D+01  0.611270D+01  0.714282D+01  0.662169D+01
               261           262           263           264           265 
      1   0.128161D+02  0.293925D+01 -0.549318D+01 -0.112653D+01 -0.351219D+01
      2   0.597925D+01  0.338112D+01 -0.303574D+01 -0.329610D+00 -0.703500D+01
      3  -0.187953D+02 -0.632038D+01  0.852892D+01  0.145614D+01  0.105472D+02
      4   0.144307D+02 -0.111966D+02  0.170891D+02  0.335052D+01  0.211859D+02
      5  -0.268705D+02 -0.394304D+01  0.454633D+01  0.293441D+01  0.556654D+01
      6  -0.842382D+01  0.298417D+01 -0.363127D+01 -0.136523D+01 -0.482726D+01
               266           267           268           269           270 
      1  -0.130471D+02 -0.358043D+01  0.442277D+00  0.316943D+00 -0.170455D+01
      2   0.378703D+02  0.523869D+01  0.216280D+01 -0.691826D+01  0.178461D+01
      3  -0.248231D+02 -0.165826D+01 -0.260507D+01  0.660132D+01 -0.800581D-01
      4  -0.557705D+02 -0.107123D+02 -0.346793D+01  0.880434D+01 -0.309738D+01
      5  -0.126838D+02 -0.962752D+01  0.164410D+01 -0.288321D+01 -0.253594D+01
      6   0.165948D+02  0.809338D+01 -0.909454D+00  0.341292D+01  0.184634D+01
               271           272           273           274           275 
      1   0.127349D+03  0.110521D+02 -0.525997D+01 -0.442459D+01  0.805043D+01
      2  -0.602992D+02 -0.176845D+01  0.221431D+01  0.561608D+01 -0.725237D+00
      3  -0.670500D+02 -0.928361D+01  0.304566D+01 -0.119148D+01 -0.732519D+01
      4   0.443904D+02  0.180002D+02 -0.370205D+00  0.134555D+02  0.578969D+01
      5   0.263125D+01  0.113275D+01  0.124822D+02 -0.997567D+00 -0.204790D+01
      6  -0.148064D+01  0.111991D+01  0.374104D+01  0.960392D-01 -0.435263D+00
               276           277           278           279           280 
      1   0.297057D+00 -0.168933D+02 -0.140154D+01  0.105004D+02  0.651807D-01
      2  -0.449824D+00  0.702119D+01 -0.797670D+00 -0.729579D+01  0.386382D+01
      3   0.152767D+00  0.987216D+01  0.219921D+01 -0.320463D+01 -0.392900D+01
      4  -0.234991D+01 -0.774635D+01 -0.550110D+01  0.244211D+01  0.432382D+01
      5  -0.166656D+01  0.144272D+02  0.193698D+00 -0.928577D+00 -0.261760D+01
      6  -0.926955D-01  0.397077D+01  0.697280D+00 -0.369856D+00 -0.908524D+00
               281           282           283           284           285 
      1   0.139339D+02 -0.159108D+01  0.997165D+01 -0.319955D+02 -0.205353D+00
      2  -0.140990D+02  0.108543D+01 -0.390567D+01  0.534348D+02 -0.782533D+00
      3   0.165109D+00  0.505656D+00 -0.606598D+01 -0.214393D+02  0.987886D+00
      4  -0.574981D+01 -0.184407D+01  0.947326D+01  0.528692D+02 -0.242445D+00
      5   0.443423D-01 -0.254943D+01  0.116727D+01 -0.277044D+01  0.575018D+01
      6  -0.133968D+01 -0.227884D+01  0.385887D-01  0.448892D+01  0.650496D+01
               286           287           288           289           290 
      1  -0.551731D+01  0.134865D+01 -0.619382D+01  0.676903D+01  0.642547D+00
      2   0.204761D+01 -0.485845D+01  0.516202D+01 -0.656648D+01 -0.177468D+01
      3   0.346969D+01  0.350981D+01  0.103180D+01 -0.202547D+00  0.113214D+01
      4  -0.427340D+01 -0.774621D+01  0.436566D+01 -0.858844D-01 -0.302088D+01
      5  -0.155419D+00  0.569606D+01  0.486175D+00  0.464552D+01 -0.959026D+00
      6  -0.561426D+00  0.705664D+01 -0.324802D+00  0.677893D+00 -0.126964D+01
               291           292           293           294           295 
      1   0.618336D+01 -0.563174D+01 -0.633043D+01 -0.807462D+00  0.102030D+02
      2  -0.272190D+01  0.210677D+01  0.324715D+01  0.324213D+01 -0.654452D+01
      3  -0.346146D+01  0.352497D+01  0.308328D+01 -0.243467D+01 -0.365848D+01
      4   0.692156D+00 -0.359985D+01 -0.300064D+01  0.311730D+01  0.556936D+01
      5   0.153957D+01 -0.228155D+01  0.292303D+01 -0.498642D+01  0.106918D+02
      6  -0.766956D+00 -0.657549D+00  0.323131D+00  0.181959D+01  0.233689D+01
               296           297 
      1  -0.109647D+01 -0.113266D+02
      2   0.319999D+01 -0.136376D+02
      3  -0.210353D+01  0.249641D+02
      4   0.898781D+01  0.479537D+00
      5   0.145216D+01  0.444456D+02
      6   0.477071D+01  0.170915D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:41:52 2021, MaxMem=  6442450944 cpu:           57985.1 elap:            7260.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51647 -19.46390 -10.58610 -10.46589 -10.45776
 Alpha  occ. eigenvalues --  -10.45076 -10.44614 -10.44417 -10.44363 -10.44323
 Alpha  occ. eigenvalues --  -10.44318 -10.43785 -10.43587 -10.42330 -10.42302
 Alpha  occ. eigenvalues --   -1.24751  -1.14606  -1.00922  -0.96105  -0.93362
 Alpha  occ. eigenvalues --   -0.88074  -0.87585  -0.81586  -0.81215  -0.80170
 Alpha  occ. eigenvalues --   -0.73916  -0.73108  -0.69705  -0.67884  -0.63653
 Alpha  occ. eigenvalues --   -0.62736  -0.61306  -0.59351  -0.58295  -0.57586
 Alpha  occ. eigenvalues --   -0.56622  -0.54755  -0.54292  -0.53793  -0.53625
 Alpha  occ. eigenvalues --   -0.52736  -0.50456  -0.49192  -0.48870  -0.48038
 Alpha  occ. eigenvalues --   -0.47985  -0.46940  -0.45193  -0.44856  -0.44208
 Alpha  occ. eigenvalues --   -0.43557  -0.43105  -0.41887  -0.40130  -0.35423
 Alpha  occ. eigenvalues --   -0.33628
 Alpha virt. eigenvalues --    0.03462   0.04707   0.05498   0.05708   0.06013
 Alpha virt. eigenvalues --    0.06299   0.07578   0.07793   0.08157   0.09168
 Alpha virt. eigenvalues --    0.10033   0.10192   0.10542   0.11199   0.12180
 Alpha virt. eigenvalues --    0.12517   0.13101   0.13218   0.14917   0.15275
 Alpha virt. eigenvalues --    0.15996   0.16496   0.17484   0.17674   0.18480
 Alpha virt. eigenvalues --    0.18551   0.18686   0.19900   0.20017   0.20516
 Alpha virt. eigenvalues --    0.21305   0.21926   0.22130   0.22835   0.23334
 Alpha virt. eigenvalues --    0.23458   0.24035   0.24526   0.24954   0.25455
 Alpha virt. eigenvalues --    0.25593   0.26404   0.26908   0.27380   0.27797
 Alpha virt. eigenvalues --    0.29244   0.29829   0.29996   0.30552   0.30818
 Alpha virt. eigenvalues --    0.31120   0.31608   0.32425   0.32825   0.33248
 Alpha virt. eigenvalues --    0.33409   0.33630   0.34461   0.34708   0.34825
 Alpha virt. eigenvalues --    0.35069   0.35356   0.35795   0.36008   0.36591
 Alpha virt. eigenvalues --    0.37213   0.37554   0.38054   0.38251   0.38509
 Alpha virt. eigenvalues --    0.38907   0.39247   0.39353   0.39741   0.39978
 Alpha virt. eigenvalues --    0.40750   0.40915   0.41267   0.41515   0.41867
 Alpha virt. eigenvalues --    0.41961   0.42370   0.42747   0.42824   0.43193
 Alpha virt. eigenvalues --    0.43427   0.43599   0.44152   0.44482   0.44833
 Alpha virt. eigenvalues --    0.44933   0.45361   0.45709   0.46089   0.46565
 Alpha virt. eigenvalues --    0.47299   0.47704   0.48103   0.48252   0.48533
 Alpha virt. eigenvalues --    0.49056   0.49163   0.49510   0.50159   0.50598
 Alpha virt. eigenvalues --    0.50972   0.51175   0.51651   0.51965   0.52306
 Alpha virt. eigenvalues --    0.52929   0.53274   0.53846   0.54271   0.54550
 Alpha virt. eigenvalues --    0.54657   0.55092   0.55710   0.55947   0.56242
 Alpha virt. eigenvalues --    0.56925   0.57091   0.57347   0.58263   0.58539
 Alpha virt. eigenvalues --    0.58964   0.59334   0.60008   0.60431   0.60754
 Alpha virt. eigenvalues --    0.61106   0.61535   0.62457   0.62637   0.62870
 Alpha virt. eigenvalues --    0.63272   0.63688   0.64344   0.64750   0.64916
 Alpha virt. eigenvalues --    0.65627   0.66297   0.66468   0.67017   0.67240
 Alpha virt. eigenvalues --    0.68032   0.68572   0.68863   0.69028   0.69581
 Alpha virt. eigenvalues --    0.70217   0.70731   0.71930   0.72168   0.72590
 Alpha virt. eigenvalues --    0.73070   0.74090   0.74226   0.75018   0.75849
 Alpha virt. eigenvalues --    0.76491   0.76798   0.77157   0.78314   0.78710
 Alpha virt. eigenvalues --    0.78979   0.79540   0.80856   0.81157   0.81902
 Alpha virt. eigenvalues --    0.82250   0.82688   0.83818   0.84275   0.85762
 Alpha virt. eigenvalues --    0.85825   0.86631   0.87580   0.88288   0.89638
 Alpha virt. eigenvalues --    0.90073   0.91143   0.92168   0.93000   0.95212
 Alpha virt. eigenvalues --    0.95486   0.97070   0.98171   1.00149   1.00590
 Alpha virt. eigenvalues --    1.01257   1.01480   1.02527   1.03893   1.04812
 Alpha virt. eigenvalues --    1.05985   1.06947   1.07871   1.08581   1.09113
 Alpha virt. eigenvalues --    1.09558   1.10331   1.10807   1.11259   1.11461
 Alpha virt. eigenvalues --    1.12629   1.12805   1.13219   1.13681   1.14517
 Alpha virt. eigenvalues --    1.14939   1.15892   1.16372   1.16892   1.18546
 Alpha virt. eigenvalues --    1.19868   1.21407   1.22674   1.23854   1.24131
 Alpha virt. eigenvalues --    1.25291   1.26110   1.27196   1.27710   1.28671
 Alpha virt. eigenvalues --    1.29780   1.30421   1.30787   1.30911   1.31719
 Alpha virt. eigenvalues --    1.32872   1.33715   1.33906   1.35945   1.36350
 Alpha virt. eigenvalues --    1.38035   1.40205   1.41576   1.42943   1.43263
 Alpha virt. eigenvalues --    1.43902   1.45815   1.47534   1.47935   1.50092
 Alpha virt. eigenvalues --    1.50976   1.51610   1.52873   1.53786   1.56784
 Alpha virt. eigenvalues --    1.57841   1.59419   1.60837   1.61984   1.63596
 Alpha virt. eigenvalues --    1.65157   1.67092   1.68057   1.69398   1.71310
 Alpha virt. eigenvalues --    1.73648   1.74957   1.75925   1.76327   1.77051
 Alpha virt. eigenvalues --    1.78248   1.79931   1.81895   1.82877   1.83701
 Alpha virt. eigenvalues --    1.84961   1.86224   1.87392   1.87666   1.88133
 Alpha virt. eigenvalues --    1.89753   1.91279   1.91743   1.92199   1.92863
 Alpha virt. eigenvalues --    1.95010   1.95913   1.96707   1.97152   1.97771
 Alpha virt. eigenvalues --    1.99335   2.00238   2.00738   2.01878   2.02503
 Alpha virt. eigenvalues --    2.02798   2.03261   2.05146   2.05475   2.05786
 Alpha virt. eigenvalues --    2.07185   2.07848   2.09616   2.10081   2.10769
 Alpha virt. eigenvalues --    2.12243   2.12964   2.13910   2.14601   2.15133
 Alpha virt. eigenvalues --    2.16283   2.17730   2.18812   2.19171   2.19788
 Alpha virt. eigenvalues --    2.20629   2.21974   2.22653   2.23981   2.24541
 Alpha virt. eigenvalues --    2.25305   2.26708   2.27460   2.29309   2.29994
 Alpha virt. eigenvalues --    2.30644   2.31614   2.32993   2.34071   2.35127
 Alpha virt. eigenvalues --    2.35827   2.38200   2.38559   2.40390   2.44305
 Alpha virt. eigenvalues --    2.45272   2.45859   2.48324   2.49505   2.51179
 Alpha virt. eigenvalues --    2.51585   2.51766   2.53705   2.55370   2.55938
 Alpha virt. eigenvalues --    2.57126   2.58601   2.61878   2.62521   2.63958
 Alpha virt. eigenvalues --    2.64417   2.66806   2.69227   2.69413   2.71466
 Alpha virt. eigenvalues --    2.74173   2.74650   2.75790   2.75986   2.76916
 Alpha virt. eigenvalues --    2.78173   2.78536   2.79680   2.81739   2.85683
 Alpha virt. eigenvalues --    2.93331   2.95204   2.95866   2.98421   3.00219
 Alpha virt. eigenvalues --    3.01287   3.02230   3.05031   3.07784   3.08542
 Alpha virt. eigenvalues --    3.10289   3.12478   3.13634   3.14489   3.14920
 Alpha virt. eigenvalues --    3.17196   3.18200   3.22128   3.22474   3.24737
 Alpha virt. eigenvalues --    3.25140   3.27750   3.29168   3.30102   3.32387
 Alpha virt. eigenvalues --    3.33266   3.33927   3.36361   3.43694   3.46463
 Alpha virt. eigenvalues --    3.69701   3.74214   3.88608   4.00786
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.676487  -1.727058  -2.113628   0.708079  -0.127777   0.181156
     2  C   -1.727058  14.606962   0.668317  -0.737000   0.816400  -1.987989
     3  C   -2.113628   0.668317  10.755959  -1.959216   0.012970   0.037230
     4  C    0.708079  -0.737000  -1.959216  13.774091  -1.821924   0.945122
     5  C   -0.127777   0.816400   0.012970  -1.821924  11.411176  -2.092580
     6  C    0.181156  -1.987989   0.037230   0.945122  -2.092580  10.606362
     7  C   -1.222328   0.467862   0.031970   0.161263   0.052297  -1.313443
     8  C   -0.082944   0.285812   0.018184   0.002454   0.015207  -0.084539
     9  C    0.004951  -0.071178   0.000710  -0.004876   0.005381  -0.065180
    10  C   -0.054221  -0.071950   0.003554  -0.006415  -0.000295   0.011863
    11  C    0.035091   0.147373  -0.927541   0.447170  -1.270348   0.054905
    12  C    0.002198   0.006709  -0.234381   0.140300  -0.156512   0.005627
    13  O    0.006557   0.001319   0.015131  -0.031335   0.028013   0.001298
    14  O   -0.004192   0.000828   0.002088  -0.004333   0.013924  -0.001419
    15  H    0.135023  -2.228546  -0.850548   0.134079   0.238921   0.080186
    16  H   -0.566250   0.007553   0.469899  -1.924828   0.047310   0.205239
    17  H    0.257773   0.012728   0.135370  -2.233372   0.507143  -0.884687
    18  H    0.069133  -2.183861   0.204496   0.088662  -0.918786   0.495640
    19  H   -0.002155  -0.080585  -0.000167  -0.001943   0.007984   0.125638
    20  H    0.116912  -0.063577   0.007728  -0.003314  -0.005655   0.000635
    21  H    0.034887   0.034771  -0.002020  -0.000168  -0.002033   0.033704
    22  H    0.000953   0.010559  -0.000593   0.000183  -0.000224   0.007320
    23  H    0.000746  -0.063681   0.000745  -0.001534  -0.005170   0.008865
    24  H   -0.008318   0.047735   0.003873   0.002106   0.010153  -0.030244
    25  H   -0.014723   0.034787   0.005277   0.002002   0.004613  -0.003527
    26  H    0.017671  -0.067148  -0.006765  -0.001370   0.000495   0.001570
    27  H    0.002654   0.012503   0.000621   0.000264  -0.000594  -0.000198
    28  H    0.022715   0.000776   0.130211  -0.315639  -0.161123   0.011713
    29  C   -0.007573   0.006891  -0.072130  -0.001657  -0.007632   0.005832
    30  H   -0.000099  -0.000481   0.000026  -0.003912   0.000940  -0.000200
    31  H   -0.000511  -0.000167  -0.003675  -0.005266  -0.014874  -0.000033
    32  H   -0.002528   0.002531   0.004772  -0.081247   0.055040  -0.003876
    33  H    0.001574   0.001666  -0.010721  -0.034760  -0.007793  -0.000155
               7          8          9         10         11         12
     1  C   -1.222328  -0.082944   0.004951  -0.054221   0.035091   0.002198
     2  C    0.467862   0.285812  -0.071178  -0.071950   0.147373   0.006709
     3  C    0.031970   0.018184   0.000710   0.003554  -0.927541  -0.234381
     4  C    0.161263   0.002454  -0.004876  -0.006415   0.447170   0.140300
     5  C    0.052297   0.015207   0.005381  -0.000295  -1.270348  -0.156512
     6  C   -1.313443  -0.084539  -0.065180   0.011863   0.054905   0.005627
     7  C    7.620118   0.065763   0.060894   0.044688  -0.002213  -0.000453
     8  C    0.065763   5.544926   0.342490   0.351519  -0.000255   0.000285
     9  C    0.060894   0.342490   4.351578  -0.031825  -0.000194  -0.000116
    10  C    0.044688   0.351519  -0.031825   4.346928   0.000069  -0.000064
    11  C   -0.002213  -0.000255  -0.000194   0.000069   7.739238   0.287253
    12  C   -0.000453   0.000285  -0.000116  -0.000064   0.287253   5.191679
    13  O    0.000047  -0.000093   0.000025   0.000011  -0.163892   0.526500
    14  O    0.000099  -0.000072   0.000026  -0.000024  -0.104486   0.188053
    15  H   -0.554246  -0.065169   0.000805  -0.030424   0.004127   0.007626
    16  H    0.017041   0.004183  -0.000469  -0.000543  -0.383080  -0.050833
    17  H    0.020888   0.003548   0.000274  -0.000513  -0.563109  -0.093234
    18  H   -0.573313  -0.057979  -0.031229   0.001874   0.023778   0.003955
    19  H    0.007147   0.033714   0.003636  -0.001556  -0.000014   0.000014
    20  H    0.009384   0.032799   0.001047   0.004667  -0.000008  -0.000046
    21  H   -0.150092   0.349391  -0.040830  -0.038148  -0.000003   0.000003
    22  H    0.044514   0.145730   0.184120  -0.022452   0.000009   0.000001
    23  H   -0.103800   0.073756   0.299711   0.010293  -0.000030  -0.000008
    24  H   -0.090269   0.163353   0.124722  -0.018099  -0.000175   0.000052
    25  H   -0.102978   0.161440  -0.017076   0.125613  -0.000041   0.000092
    26  H   -0.112950   0.082861   0.009815   0.291143   0.000003  -0.000002
    27  H    0.053207   0.139318  -0.021690   0.188126   0.000014  -0.000013
    28  H    0.000079  -0.000024  -0.000040   0.000022   0.133569  -0.193916
    29  C   -0.000186  -0.000025   0.000005  -0.000002   0.386704   0.002125
    30  H   -0.000006   0.000010  -0.000004  -0.000001   0.004740   0.125155
    31  H   -0.000004   0.000001  -0.000000  -0.000000   0.148663   0.003052
    32  H    0.000033  -0.000003   0.000002   0.000000   0.092876   0.003182
    33  H    0.000013  -0.000003   0.000000   0.000001   0.083544  -0.016571
              13         14         15         16         17         18
     1  C    0.006557  -0.004192   0.135023  -0.566250   0.257773   0.069133
     2  C    0.001319   0.000828  -2.228546   0.007553   0.012728  -2.183861
     3  C    0.015131   0.002088  -0.850548   0.469899   0.135370   0.204496
     4  C   -0.031335  -0.004333   0.134079  -1.924828  -2.233372   0.088662
     5  C    0.028013   0.013924   0.238921   0.047310   0.507143  -0.918786
     6  C    0.001298  -0.001419   0.080186   0.205239  -0.884687   0.495640
     7  C    0.000047   0.000099  -0.554246   0.017041   0.020888  -0.573313
     8  C   -0.000093  -0.000072  -0.065169   0.004183   0.003548  -0.057979
     9  C    0.000025   0.000026   0.000805  -0.000469   0.000274  -0.031229
    10  C    0.000011  -0.000024  -0.030424  -0.000543  -0.000513   0.001874
    11  C   -0.163892  -0.104486   0.004127  -0.383080  -0.563109   0.023778
    12  C    0.526500   0.188053   0.007626  -0.050833  -0.093234   0.003955
    13  O    7.887505   0.004479  -0.000121  -0.004224   0.011148  -0.000332
    14  O    0.004479   8.051573  -0.000663  -0.006329   0.003702  -0.000611
    15  H   -0.000121  -0.000663   4.584552  -1.026353  -0.034035   0.096960
    16  H   -0.004224  -0.006329  -1.026353   3.688046   0.082308  -0.028546
    17  H    0.011148   0.003702  -0.034035   0.082308   4.298071  -1.189360
    18  H   -0.000332  -0.000611   0.096960  -0.028546  -1.189360   4.409848
    19  H    0.000005   0.000007  -0.011093   0.000096  -0.000766   0.033840
    20  H    0.000007   0.000018   0.032950  -0.000863  -0.001664   0.011216
    21  H   -0.000000  -0.000002   0.008607  -0.000066  -0.000082   0.008261
    22  H    0.000000   0.000001   0.000339  -0.000008  -0.000028  -0.000512
    23  H    0.000001  -0.000001   0.000696  -0.000002  -0.000809  -0.002143
    24  H   -0.000004   0.000036  -0.000353  -0.000130   0.003576  -0.002321
    25  H   -0.000024   0.000012   0.003584   0.002318  -0.000060   0.000950
    26  H    0.000004  -0.000003  -0.000325  -0.001008  -0.000000   0.000695
    27  H    0.000003  -0.000001  -0.002107   0.000043  -0.000003   0.000145
    28  H    0.005754  -0.074090  -0.000935   0.031570   0.025668  -0.002431
    29  C   -0.015358   0.020572   0.002622  -0.009330  -0.042788   0.002165
    30  H   -0.056316   0.156907   0.000001   0.001708   0.000091  -0.000008
    31  H   -0.017773   0.000469  -0.000060   0.003595  -0.005779   0.000050
    32  H    0.013498   0.003630   0.000283  -0.009503   0.022732  -0.000800
    33  H    0.003470   0.001133   0.000201  -0.004874  -0.001841   0.000165
              19         20         21         22         23         24
     1  C   -0.002155   0.116912   0.034887   0.000953   0.000746  -0.008318
     2  C   -0.080585  -0.063577   0.034771   0.010559  -0.063681   0.047735
     3  C   -0.000167   0.007728  -0.002020  -0.000593   0.000745   0.003873
     4  C   -0.001943  -0.003314  -0.000168   0.000183  -0.001534   0.002106
     5  C    0.007984  -0.005655  -0.002033  -0.000224  -0.005170   0.010153
     6  C    0.125638   0.000635   0.033704   0.007320   0.008865  -0.030244
     7  C    0.007147   0.009384  -0.150092   0.044514  -0.103800  -0.090269
     8  C    0.033714   0.032799   0.349391   0.145730   0.073756   0.163353
     9  C    0.003636   0.001047  -0.040830   0.184120   0.299711   0.124722
    10  C   -0.001556   0.004667  -0.038148  -0.022452   0.010293  -0.018099
    11  C   -0.000014  -0.000008  -0.000003   0.000009  -0.000030  -0.000175
    12  C    0.000014  -0.000046   0.000003   0.000001  -0.000008   0.000052
    13  O    0.000005   0.000007  -0.000000   0.000000   0.000001  -0.000004
    14  O    0.000007   0.000018  -0.000002   0.000001  -0.000001   0.000036
    15  H   -0.011093   0.032950   0.008607   0.000339   0.000696  -0.000353
    16  H    0.000096  -0.000863  -0.000066  -0.000008  -0.000002  -0.000130
    17  H   -0.000766  -0.001664  -0.000082  -0.000028  -0.000809   0.003576
    18  H    0.033840   0.011216   0.008261  -0.000512  -0.002143  -0.002321
    19  H    1.088996  -0.308411  -0.024518   0.000778  -0.007031   0.008340
    20  H   -0.308411   1.066421  -0.024437  -0.003775   0.033603  -0.022866
    21  H   -0.024518  -0.024437   1.144773   0.018913  -0.028287   0.001329
    22  H    0.000778  -0.003775   0.018913   1.171842  -0.283157  -0.152647
    23  H   -0.007031   0.033603  -0.028287  -0.283157   1.031904   0.047330
    24  H    0.008340  -0.022866   0.001329  -0.152647   0.047330   0.875865
    25  H   -0.020457   0.007757   0.001922  -0.025708  -0.003487   0.032700
    26  H    0.033430  -0.006992  -0.026766   0.012294  -0.005955  -0.002810
    27  H   -0.004340   0.001210   0.017994  -0.007312   0.012671  -0.026422
    28  H    0.000013   0.000005  -0.000000   0.000000  -0.000002  -0.000004
    29  C    0.000002   0.000024   0.000000  -0.000000   0.000001   0.000002
    30  H   -0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000002
    31  H    0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000000
    32  H    0.000000  -0.000001  -0.000000  -0.000000   0.000000   0.000001
    33  H    0.000002   0.000002  -0.000000   0.000000  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C   -0.014723   0.017671   0.002654   0.022715  -0.007573  -0.000099
     2  C    0.034787  -0.067148   0.012503   0.000776   0.006891  -0.000481
     3  C    0.005277  -0.006765   0.000621   0.130211  -0.072130   0.000026
     4  C    0.002002  -0.001370   0.000264  -0.315639  -0.001657  -0.003912
     5  C    0.004613   0.000495  -0.000594  -0.161123  -0.007632   0.000940
     6  C   -0.003527   0.001570  -0.000198   0.011713   0.005832  -0.000200
     7  C   -0.102978  -0.112950   0.053207   0.000079  -0.000186  -0.000006
     8  C    0.161440   0.082861   0.139318  -0.000024  -0.000025   0.000010
     9  C   -0.017076   0.009815  -0.021690  -0.000040   0.000005  -0.000004
    10  C    0.125613   0.291143   0.188126   0.000022  -0.000002  -0.000001
    11  C   -0.000041   0.000003   0.000014   0.133569   0.386704   0.004740
    12  C    0.000092  -0.000002  -0.000013  -0.193916   0.002125   0.125155
    13  O   -0.000024   0.000004   0.000003   0.005754  -0.015358  -0.056316
    14  O    0.000012  -0.000003  -0.000001  -0.074090   0.020572   0.156907
    15  H    0.003584  -0.000325  -0.002107  -0.000935   0.002622   0.000001
    16  H    0.002318  -0.001008   0.000043   0.031570  -0.009330   0.001708
    17  H   -0.000060  -0.000000  -0.000003   0.025668  -0.042788   0.000091
    18  H    0.000950   0.000695   0.000145  -0.002431   0.002165  -0.000008
    19  H   -0.020457   0.033430  -0.004340   0.000013   0.000002  -0.000000
    20  H    0.007757  -0.006992   0.001210   0.000005   0.000024  -0.000000
    21  H    0.001922  -0.026766   0.017994  -0.000000   0.000000   0.000000
    22  H   -0.025708   0.012294  -0.007312   0.000000  -0.000000  -0.000000
    23  H   -0.003487  -0.005955   0.012671  -0.000002   0.000001  -0.000000
    24  H    0.032700  -0.002810  -0.026422  -0.000004   0.000002  -0.000002
    25  H    0.869450   0.053211  -0.155720   0.000001  -0.000003  -0.000004
    26  H    0.053211   1.021952  -0.284947   0.000001   0.000000  -0.000000
    27  H   -0.155720  -0.284947   1.186906  -0.000000  -0.000000   0.000000
    28  H    0.000001   0.000001  -0.000000   1.487693  -0.238550  -0.009021
    29  C   -0.000003   0.000000  -0.000000  -0.238550   4.342786   0.003497
    30  H   -0.000004  -0.000000   0.000000  -0.009021   0.003497   0.543531
    31  H   -0.000000  -0.000000   0.000000  -0.008148   0.229279   0.000536
    32  H   -0.000000  -0.000000  -0.000000   0.017859   0.183163  -0.000427
    33  H   -0.000000  -0.000000  -0.000000  -0.007025   0.303047  -0.000073
              31         32         33
     1  C   -0.000511  -0.002528   0.001574
     2  C   -0.000167   0.002531   0.001666
     3  C   -0.003675   0.004772  -0.010721
     4  C   -0.005266  -0.081247  -0.034760
     5  C   -0.014874   0.055040  -0.007793
     6  C   -0.000033  -0.003876  -0.000155
     7  C   -0.000004   0.000033   0.000013
     8  C    0.000001  -0.000003  -0.000003
     9  C   -0.000000   0.000002   0.000000
    10  C   -0.000000   0.000000   0.000001
    11  C    0.148663   0.092876   0.083544
    12  C    0.003052   0.003182  -0.016571
    13  O   -0.017773   0.013498   0.003470
    14  O    0.000469   0.003630   0.001133
    15  H   -0.000060   0.000283   0.000201
    16  H    0.003595  -0.009503  -0.004874
    17  H   -0.005779   0.022732  -0.001841
    18  H    0.000050  -0.000800   0.000165
    19  H    0.000000   0.000000   0.000002
    20  H   -0.000000  -0.000001   0.000002
    21  H    0.000000  -0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000000
    23  H   -0.000000   0.000000  -0.000000
    24  H   -0.000000   0.000001  -0.000000
    25  H   -0.000000  -0.000000  -0.000000
    26  H   -0.000000  -0.000000  -0.000000
    27  H    0.000000  -0.000000  -0.000000
    28  H   -0.008148   0.017859  -0.007025
    29  C    0.229279   0.183163   0.303047
    30  H    0.000536  -0.000427  -0.000073
    31  H    0.672594  -0.093013  -0.015583
    32  H   -0.093013   0.791961  -0.016578
    33  H   -0.015583  -0.016578   0.685918
 Mulliken charges:
               1
     1  C   -0.340255
     2  C   -1.890860
     3  C   -0.327746
     4  C   -1.231665
     5  C   -0.634646
     6  C   -0.351835
     7  C    1.568973
     8  C   -1.525636
     9  C    0.894515
    10  C    0.896160
    11  C   -0.173733
    12  C    0.252286
    13  O   -0.215304
    14  O   -0.251328
    15  H    0.473413
    16  H    0.456330
    17  H    0.667112
    18  H    0.540399
    19  H    0.119394
    20  H    0.115224
    21  H   -0.317101
    22  H   -0.101141
    23  H   -0.015226
    24  H    0.033493
    25  H    0.038077
    26  H   -0.008104
    27  H   -0.112333
    28  H    0.143300
    29  C    0.906517
    30  H    0.233415
    31  H    0.106648
    32  H    0.016415
    33  H    0.035241
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.133158
     2  C   -1.890860
     3  C    0.128585
     4  C   -1.231665
     5  C    0.032466
     6  C    0.188564
     7  C    1.803592
     8  C   -1.842737
     9  C    0.811641
    10  C    0.813800
    11  C   -0.030433
    12  C    0.252286
    13  O   -0.215304
    14  O   -0.017913
    29  C    1.064821
 Electronic spatial extent (au):  <R**2>=           4245.9142
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.2343    Y=             -0.5465    Z=              1.2430  Tot=              1.8350
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -89.6611   YY=            -89.4719   ZZ=            -91.5910
   XY=              1.5572   XZ=             -6.3847   YZ=              0.7918
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5802   YY=              0.7694   ZZ=             -1.3497
   XY=              1.5572   XZ=             -6.3847   YZ=              0.7918
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              1.6502  YYY=             35.0561  ZZZ=             -2.2846  XYY=            -20.1228
  XXY=             -7.2253  XXZ=             24.3085  XZZ=              1.9192  YZZ=             -3.8070
  YYZ=             15.1819  XYZ=            -12.3390
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4323.2666 YYYY=           -719.7070 ZZZZ=           -605.0259 XXXY=              4.8084
 XXXZ=           -104.1684 YYYX=            -93.0185 YYYZ=             32.2252 ZZZX=            -11.8831
 ZZZY=             -9.9062 XXYY=           -798.5885 XXZZ=           -852.8966 YYZZ=           -233.3221
 XXYZ=             47.9406 YYXZ=            -30.8162 ZZXY=             -3.8075
 N-N= 9.843576103471D+02 E-N=-3.490322208220D+03  KE= 6.480729440902D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:41:54 2021, MaxMem=  6442450944 cpu:               5.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.71324582D-01-1.77070808D-01 4.73123682D-01
 Polarizability= 1.99037106D+02-5.54040444D-01 1.30507314D+02
                 1.66351006D+00-7.44604290D+00 1.45233610D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8784   -0.8895       -0.2983   -0.3005
 2      0.8784    0.8895        3.9666    3.9685      -35.8140  -35.8085
 3      0.2983    0.3005       27.9134   27.9149       -3.9684   -3.9685
 4     -3.9666   -3.9685       -0.0000    0.0000        0.3017    0.3005
 5      7.9007    7.8935       -0.3017   -0.3005       -0.8875   -0.8895
 6      3.9684    3.9685        0.8875    0.8895        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.6686    2.6686       -0.9016   -0.9016
 2    -11.9056  -11.9056       -0.0000    0.0000       -0.9016   -0.9016
 3    -11.9056  -11.9056        2.6686    2.6686        0.0000    0.0000
 4      2.6686    2.6686       11.9056   11.9056     -107.4254 -107.4254
 5      0.9016    0.9016       83.7448   83.7448      -11.9056  -11.9056
 6     23.6805   23.6805       -0.9016   -0.9016       -2.6686   -2.6686
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0673    0.0000        4.9031    3.5582        1.8099    1.2021
 2     -3.7411   -3.5582      -16.3177  -15.8741      142.6985  143.2338
 3     -1.6186   -1.2021     -111.0830 -111.6597       16.2181   15.8741
 4     15.8683   15.8741       -0.0642    0.0000       -1.2190   -1.2021
 5    -31.2000  -31.5741        1.4108    1.2021        3.2729    3.5582
 6    -15.8328  -15.8741       -3.3896   -3.5582       -0.0686    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5565    0.0000      -87.2555  -88.2112        6.2783    5.5148
 2     89.4670   88.2112       13.5305   13.4369       -4.6574   -5.9258
 3     -3.3955   -5.5148       46.5262   46.6635      -14.0385  -13.4369
 4    -13.6533  -13.4369       -1.0991    0.0000       -6.2024   -5.5148
 5    -41.2356  -40.7377        5.1446    5.5148      -89.3332  -88.2112
 6     13.7236   13.4369       88.1826   88.2112       -0.2820    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.0504  -18.1253        0.5027    0.9025      -46.2787  -46.8357
 2    -36.9371  -36.4943      -72.4543  -71.8776      -46.6278  -46.8357
 3    -36.8114  -36.4943        0.1588    0.9025      -59.1998  -59.4833
 4     73.2387   72.7801       18.2258   18.3690       21.0304   20.0037
 5    -11.6187  -12.6475       60.3137   59.6754      -18.5125  -18.3690
 6    -80.4295  -79.6791       12.0311   12.6475      -75.0541  -72.7801
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0004    0.0003    0.0004    1.5729    3.1172    7.0147
 Low frequencies ---   24.6721   37.4950   48.0329
 Diagonal vibrational polarizability:
       44.6508982      20.9538794       8.6318248
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.6624                37.4898                48.0326
 Red. masses --      3.8552                 6.7236                 4.0746
 Frc consts  --      0.0014                 0.0056                 0.0055
 IR Inten    --      0.2284                 1.1648                 0.6317
 RamAct Fr= 1--      0.5244                 1.0048                 0.7133
  Dep-P Fr= 1--      0.7411                 0.7215                 0.7192
  Dep-U Fr= 1--      0.8513                 0.8382                 0.8366
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0004
 Beta2  Fr= 1--      0.0744                 0.1404                 0.0995
 AlphaG Fr= 1--      0.0001                 0.0034                -0.0015
 Gamma2 Fr= 1--     -0.1692                 0.1690                -0.6514
 Delta2 Fr= 1--     -0.3127                 0.4387                -0.5275
 Raman1 Fr= 1--       2.097                  4.019                  2.853
 ROA1   Fr= 1--     -26.249                 30.261                -79.409
 CID1   Fr= 1--     -12.515                  7.529                -27.833
 Raman2 Fr= 1--       0.893                  1.684                  1.194
 ROA2   Fr= 1--      -1.560                  0.547                -11.413
 CID2   Fr= 1--      -1.747                  0.325                 -9.562
 Raman3 Fr= 1--       1.786                  3.369                  2.387
 ROA3   Fr= 1--     -26.249                 30.261                -79.409
 CID3   Fr= 1--     -14.700                  8.983                -33.267
 RC180  Fr= 1--       0.703                  0.676                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.01    -0.01  -0.08  -0.03    -0.02  -0.14  -0.07
     2   6     0.00  -0.03   0.05    -0.00  -0.04  -0.01     0.00  -0.04  -0.04
     3   6     0.02  -0.10  -0.03    -0.01  -0.10  -0.04    -0.02  -0.15  -0.06
     4   6    -0.01  -0.05  -0.03    -0.01  -0.07  -0.03     0.01  -0.04  -0.01
     5   6    -0.03   0.00   0.01    -0.01  -0.06  -0.02     0.03   0.05   0.01
     6   6    -0.02   0.01   0.05    -0.01  -0.04  -0.02     0.03   0.05   0.00
     7   6     0.01  -0.02   0.09     0.00   0.04   0.02     0.00   0.03  -0.05
     8   6    -0.03   0.03  -0.00    -0.08   0.08   0.05    -0.06   0.06  -0.01
     9   6    -0.11   0.19  -0.04    -0.12   0.05   0.06     0.06  -0.08   0.02
    10   6    -0.01  -0.06  -0.15    -0.15   0.07   0.07    -0.24   0.10   0.13
    11   6    -0.01  -0.03  -0.06    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.05   0.01   0.06     0.08   0.01  -0.01     0.08   0.03  -0.01
    13   8     0.12   0.13   0.08    -0.18  -0.02   0.09     0.25   0.06  -0.07
    14   8     0.01  -0.11   0.14     0.49   0.08  -0.11    -0.07   0.01   0.02
    15   1     0.04  -0.13   0.00    -0.00  -0.09  -0.03    -0.04  -0.21  -0.09
    16   1     0.03  -0.13  -0.06    -0.01  -0.12  -0.05    -0.04  -0.22  -0.07
    17   1    -0.05   0.04   0.01    -0.01  -0.04  -0.02     0.05   0.12   0.05
    18   1    -0.04   0.06   0.08    -0.00  -0.02  -0.01     0.04   0.12   0.02
    19   1     0.04  -0.11   0.12     0.04   0.06   0.02     0.00   0.07  -0.05
    20   1     0.01   0.04   0.18     0.04   0.05   0.02     0.05   0.03  -0.08
    21   1    -0.01   0.03   0.07    -0.06   0.15   0.06    -0.06   0.16  -0.13
    22   1    -0.14   0.23  -0.10    -0.17   0.08   0.08     0.02  -0.05   0.03
    23   1    -0.12   0.26   0.06    -0.08   0.05   0.05     0.18  -0.10  -0.08
    24   1    -0.13   0.20  -0.12    -0.14  -0.02   0.05     0.07  -0.17   0.15
    25   1    -0.02  -0.05  -0.23    -0.17   0.00   0.07    -0.24  -0.00   0.25
    26   1     0.05  -0.17  -0.12    -0.12   0.10   0.07    -0.33   0.20   0.10
    27   1    -0.03  -0.03  -0.21    -0.20   0.11   0.10    -0.28   0.13   0.14
    28   1    -0.05  -0.12  -0.09     0.00   0.00  -0.02     0.03   0.05   0.03
    29   6    -0.03   0.08  -0.17    -0.06   0.03  -0.01    -0.05   0.03   0.06
    30   1     0.06  -0.08   0.22     0.52   0.09  -0.10    -0.00   0.02  -0.00
    31   1    -0.03   0.10  -0.18    -0.06   0.10  -0.00    -0.04   0.07   0.10
    32   1    -0.06   0.06  -0.26    -0.13   0.01   0.00    -0.09   0.02   0.07
    33   1    -0.00   0.18  -0.14    -0.06   0.00  -0.01    -0.07   0.00   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --     57.6977                90.9939               114.0473
 Red. masses --      3.8981                 2.9378                 4.5564
 Frc consts  --      0.0076                 0.0143                 0.0349
 IR Inten    --      0.4863                 0.0494                 0.1132
 RamAct Fr= 1--      3.1990                 2.0522                 2.5616
  Dep-P Fr= 1--      0.7368                 0.7490                 0.7108
  Dep-U Fr= 1--      0.8485                 0.8565                 0.8310
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0017
 Beta2  Fr= 1--      0.4524                 0.2929                 0.3548
 AlphaG Fr= 1--     -0.0009                 0.0004                -0.0021
 Gamma2 Fr= 1--      0.7109                 0.3040                 0.1414
 Delta2 Fr= 1--      0.6129                 0.1637                 0.0500
 Raman1 Fr= 1--      12.796                  8.209                 10.246
 ROA1   Fr= 1--      87.860                 34.425                 15.169
 CID1   Fr= 1--       6.866                  4.194                  1.480
 Raman2 Fr= 1--       5.429                  3.515                  4.257
 ROA2   Fr= 1--      12.159                  5.988                  2.993
 CID2   Fr= 1--       2.240                  1.703                  0.703
 Raman3 Fr= 1--      10.857                  7.031                  8.514
 ROA3   Fr= 1--      87.860                 34.425                 15.169
 CID3   Fr= 1--       8.092                  4.896                  1.782
 RC180  Fr= 1--       0.697                  0.713                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.03  -0.08  -0.11    -0.10   0.10   0.05
     2   6    -0.01   0.05   0.04     0.00   0.02  -0.08    -0.07   0.13   0.04
     3   6    -0.01  -0.09  -0.05    -0.03  -0.10  -0.09    -0.11  -0.03   0.02
     4   6    -0.02   0.02  -0.02     0.01   0.00  -0.04    -0.10  -0.12   0.00
     5   6    -0.01   0.18   0.05     0.04   0.11  -0.01    -0.08  -0.07   0.00
     6   6    -0.01   0.20   0.08     0.04   0.11  -0.04    -0.06   0.06   0.02
     7   6    -0.01  -0.01   0.02     0.01   0.03  -0.07    -0.07   0.10  -0.00
     8   6     0.06  -0.04  -0.02     0.01  -0.02   0.08     0.06   0.02  -0.01
     9   6     0.23  -0.08  -0.00    -0.18  -0.04   0.07     0.14   0.02  -0.01
    10   6     0.00  -0.01   0.05     0.19   0.01   0.04     0.20   0.06  -0.01
    11   6    -0.03  -0.03  -0.07     0.02   0.00   0.02    -0.10  -0.09   0.01
    12   6    -0.07  -0.03   0.01    -0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.17   0.00   0.07    -0.01  -0.01   0.03     0.18  -0.01  -0.06
    14   8     0.03  -0.06   0.03    -0.02  -0.01   0.04     0.12  -0.06  -0.03
    15   1    -0.00  -0.17  -0.05    -0.05  -0.15  -0.14    -0.11   0.16   0.06
    16   1    -0.01  -0.20  -0.11    -0.06  -0.18  -0.10    -0.13  -0.05   0.03
    17   1    -0.02   0.28   0.08     0.07   0.19   0.02    -0.07  -0.12  -0.01
    18   1    -0.01   0.30   0.13     0.06   0.19  -0.02    -0.05   0.08   0.02
    19   1    -0.04  -0.04   0.02     0.03   0.12  -0.09    -0.13   0.11  -0.01
    20   1    -0.04  -0.02   0.03    -0.02  -0.03  -0.14    -0.11   0.06  -0.04
    21   1     0.03  -0.06  -0.14     0.03  -0.07   0.22     0.03  -0.11  -0.03
    22   1     0.28  -0.10  -0.05    -0.12  -0.11   0.17     0.24  -0.05  -0.02
    23   1     0.28  -0.10  -0.06    -0.36  -0.07   0.10     0.06  -0.01  -0.02
    24   1     0.27  -0.06   0.12    -0.19   0.07  -0.08     0.17   0.13   0.02
    25   1     0.03   0.00   0.16     0.15   0.01  -0.15     0.22   0.17  -0.02
    26   1    -0.12   0.01   0.03     0.38   0.03   0.05     0.18   0.05  -0.01
    27   1     0.04  -0.03   0.00     0.15  -0.01   0.18     0.28  -0.01  -0.01
    28   1    -0.06  -0.10  -0.09     0.07   0.02   0.04    -0.11  -0.06   0.01
    29   6     0.02   0.01  -0.15    -0.03  -0.02   0.08    -0.18  -0.04   0.03
    30   1    -0.00  -0.06   0.08    -0.03  -0.01   0.04     0.27  -0.02  -0.06
    31   1     0.01  -0.04  -0.17    -0.02  -0.02   0.15    -0.18   0.06   0.03
    32   1     0.04   0.00  -0.21    -0.01  -0.01   0.08    -0.28  -0.07   0.05
    33   1     0.03   0.08  -0.13    -0.10  -0.03   0.07    -0.17  -0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    156.4530               200.6287               223.8801
 Red. masses --      3.7913                 2.9721                 1.0878
 Frc consts  --      0.0547                 0.0705                 0.0321
 IR Inten    --      0.0817                 0.5088                 0.2947
 RamAct Fr= 1--      0.7437                 0.2526                 0.0407
  Dep-P Fr= 1--      0.1426                 0.2389                 0.5814
  Dep-U Fr= 1--      0.2496                 0.3856                 0.7353
 Alpha2 Fr= 1--      0.0117                 0.0031                 0.0001
 Beta2  Fr= 1--      0.0309                 0.0162                 0.0050
 AlphaG Fr= 1--      0.0025                -0.0029                -0.0006
 Gamma2 Fr= 1--     -0.1217                 0.4910                 0.0948
 Delta2 Fr= 1--     -0.1242                 0.2592                 0.0387
 Raman1 Fr= 1--       2.975                  1.010                  0.163
 ROA1   Fr= 1--     -15.652                 55.429                 10.342
 CID1   Fr= 1--      -5.262                 54.867                 63.474
 Raman2 Fr= 1--       0.371                  0.195                  0.060
 ROA2   Fr= 1--      -1.926                  9.710                  1.966
 CID2   Fr= 1--      -5.189                 49.851                 32.820
 Raman3 Fr= 1--       0.743                  0.390                  0.120
 ROA3   Fr= 1--     -15.652                 55.429                 10.342
 CID3   Fr= 1--     -21.080                142.281                 86.326
 RC180  Fr= 1--      -0.501                 -0.229                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.05    -0.03  -0.11   0.04     0.01   0.02  -0.01
     2   6    -0.05   0.03   0.00     0.01  -0.05   0.02     0.00   0.01  -0.01
     3   6    -0.05   0.08   0.11    -0.02  -0.13   0.08     0.01   0.02  -0.01
     4   6     0.00   0.05   0.12     0.00  -0.07   0.10     0.00   0.01  -0.02
     5   6     0.03   0.11   0.12     0.03  -0.10   0.07     0.00   0.02  -0.01
     6   6     0.02   0.09   0.06     0.04  -0.09   0.03     0.00   0.02  -0.01
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.00  -0.01   0.01
     8   6    -0.08  -0.04  -0.04     0.02   0.05  -0.04    -0.00  -0.01   0.01
     9   6    -0.15  -0.10  -0.04     0.02  -0.00  -0.03    -0.01  -0.01   0.00
    10   6    -0.05  -0.01  -0.01     0.09   0.11   0.00    -0.02  -0.02  -0.00
    11   6    -0.01  -0.05   0.02    -0.01   0.02   0.03     0.00   0.00  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03    -0.06  -0.03  -0.00    -0.00   0.02   0.01
    14   8     0.10  -0.03  -0.02    -0.07   0.09  -0.03     0.00  -0.03   0.02
    15   1    -0.11   0.05   0.03    -0.07  -0.12   0.02     0.01   0.03  -0.00
    16   1    -0.09   0.07   0.14    -0.04  -0.15   0.08     0.01   0.02  -0.01
    17   1     0.06   0.13   0.14     0.07  -0.11   0.08     0.00   0.02  -0.01
    18   1     0.05   0.10   0.03     0.06  -0.08   0.01     0.00   0.03  -0.00
    19   1    -0.15   0.06  -0.13    -0.06   0.14  -0.11     0.01  -0.02   0.01
    20   1    -0.06  -0.06  -0.18     0.10   0.04  -0.17    -0.01  -0.01   0.02
    21   1    -0.07  -0.03  -0.01     0.02   0.03  -0.03     0.00  -0.00   0.01
    22   1    -0.10  -0.16   0.04     0.10  -0.08   0.03    -0.04   0.02  -0.00
    23   1    -0.25  -0.15  -0.05    -0.09  -0.06  -0.06     0.02   0.01   0.01
    24   1    -0.15  -0.04  -0.09     0.04   0.09  -0.05    -0.02  -0.03   0.00
    25   1    -0.06  -0.04  -0.06     0.06   0.07  -0.10    -0.01  -0.02   0.02
    26   1     0.02   0.03  -0.02     0.23   0.19  -0.00    -0.04  -0.03  -0.00
    27   1    -0.08  -0.01   0.06     0.05   0.10   0.15    -0.01  -0.02  -0.03
    28   1    -0.12  -0.09  -0.01    -0.12  -0.01   0.00     0.01   0.01  -0.01
    29   6     0.18  -0.05  -0.14     0.01   0.14  -0.12    -0.00  -0.02   0.02
    30   1     0.19  -0.01  -0.05    -0.15   0.06  -0.07     0.00  -0.02   0.04
    31   1     0.15  -0.15  -0.30    -0.02   0.35  -0.38    -0.05   0.38  -0.35
    32   1     0.24  -0.03  -0.15    -0.22   0.08  -0.02    -0.38  -0.08   0.46
    33   1     0.32   0.02  -0.10     0.31   0.08  -0.09     0.42  -0.41  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    247.8006               257.0280               269.1202
 Red. masses --      1.0980                 2.7068                 1.1202
 Frc consts  --      0.0397                 0.1054                 0.0478
 IR Inten    --      0.0684                 0.8410                 0.8045
 RamAct Fr= 1--      0.3441                 1.5752                 0.7252
  Dep-P Fr= 1--      0.6963                 0.6687                 0.0687
  Dep-U Fr= 1--      0.8209                 0.8015                 0.1286
 Alpha2 Fr= 1--      0.0003                 0.0023                 0.0137
 Beta2  Fr= 1--      0.0471                 0.2104                 0.0155
 AlphaG Fr= 1--     -0.0063                -0.0031                 0.0020
 Gamma2 Fr= 1--     -0.2905                -0.0729                 0.0849
 Delta2 Fr= 1--     -0.0340                 0.2206                -0.0287
 Raman1 Fr= 1--       1.377                  6.301                  2.901
 ROA1   Fr= 1--     -28.979                  0.064                  7.233
 CID1   Fr= 1--     -21.051                  0.010                  2.493
 Raman2 Fr= 1--       0.565                  2.525                  0.187
 ROA2   Fr= 1--      -6.700                 -3.513                  2.267
 CID2   Fr= 1--     -11.857                 -1.391                 12.153
 Raman3 Fr= 1--       1.130                  5.050                  0.373
 ROA3   Fr= 1--     -28.979                  0.064                  7.233
 CID3   Fr= 1--     -25.643                  0.013                 19.386
 RC180  Fr= 1--       0.642                  0.603                 -0.743
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.02    -0.06  -0.09  -0.05    -0.01  -0.01   0.00
     2   6     0.01  -0.00   0.02    -0.06  -0.05  -0.02    -0.01  -0.00   0.01
     3   6     0.02   0.02  -0.00    -0.05  -0.04  -0.03    -0.01  -0.01   0.00
     4   6     0.00   0.00  -0.02    -0.03   0.04   0.00    -0.02   0.01   0.01
     5   6    -0.01   0.00  -0.01    -0.05  -0.04  -0.02    -0.02  -0.00   0.00
     6   6    -0.00   0.00   0.02    -0.06  -0.09  -0.03    -0.02  -0.01   0.00
     7   6     0.01  -0.01   0.01    -0.05   0.02   0.02    -0.00   0.01  -0.00
     8   6     0.00   0.00  -0.01    -0.02   0.02   0.02     0.01   0.01  -0.00
     9   6     0.03  -0.00  -0.01     0.06   0.07   0.01     0.02  -0.01   0.00
    10   6    -0.04  -0.01  -0.01     0.05   0.05   0.03     0.03   0.01  -0.02
    11   6     0.00   0.00  -0.02    -0.01   0.05  -0.01    -0.02   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.02   0.05  -0.02    -0.01   0.01  -0.01
    13   8    -0.00   0.02  -0.00     0.00   0.13   0.01    -0.00   0.04  -0.00
    14   8     0.00  -0.02   0.00     0.02   0.00   0.02     0.01  -0.01   0.00
    15   1     0.04   0.01   0.02    -0.06  -0.13  -0.06    -0.01  -0.02   0.00
    16   1     0.03   0.03  -0.01    -0.06  -0.05  -0.03    -0.01  -0.01  -0.00
    17   1    -0.02  -0.00  -0.02    -0.07  -0.04  -0.02    -0.02  -0.00   0.00
    18   1    -0.02   0.00   0.03    -0.06  -0.11  -0.05    -0.02  -0.02   0.00
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.03    -0.01   0.01  -0.00
    20   1     0.02   0.00   0.01    -0.04   0.03   0.03     0.00   0.01  -0.01
    21   1    -0.00   0.02  -0.03    -0.04  -0.04  -0.01     0.01   0.01  -0.00
    22   1     0.33  -0.25   0.05     0.27  -0.07  -0.02    -0.29   0.24  -0.07
    23   1    -0.33  -0.13  -0.02    -0.13   0.02   0.03     0.42   0.11  -0.03
    24   1     0.11   0.37  -0.06     0.13   0.32   0.02    -0.05  -0.42   0.10
    25   1    -0.17  -0.29  -0.28     0.11   0.20   0.13    -0.08  -0.20  -0.32
    26   1     0.33   0.13   0.00    -0.08   0.02   0.02     0.41   0.11  -0.00
    27   1    -0.33   0.13   0.28     0.20  -0.03  -0.05    -0.21   0.11   0.25
    28   1     0.01   0.01  -0.01    -0.02   0.09   0.00    -0.02   0.02  -0.00
    29   6    -0.02  -0.01   0.02     0.19  -0.14   0.03     0.03  -0.04   0.01
    30   1     0.01  -0.01   0.02     0.07   0.03   0.06     0.03   0.00   0.02
    31   1    -0.01  -0.01   0.04     0.16  -0.32  -0.08     0.02  -0.09  -0.00
    32   1    -0.02  -0.01   0.04     0.36  -0.06   0.19     0.08  -0.02   0.04
    33   1    -0.04  -0.04   0.01     0.26  -0.26   0.01     0.03  -0.07   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    281.9356               342.7546               352.7862
 Red. masses --      3.3470                 3.7261                 3.4106
 Frc consts  --      0.1567                 0.2579                 0.2501
 IR Inten    --      0.4993                 0.8138                 0.7419
 RamAct Fr= 1--      0.4062                 1.2163                 2.9352
  Dep-P Fr= 1--      0.5299                 0.4281                 0.4745
  Dep-U Fr= 1--      0.6928                 0.5995                 0.6437
 Alpha2 Fr= 1--      0.0017                 0.0081                 0.0162
 Beta2  Fr= 1--      0.0469                 0.1215                 0.3149
 AlphaG Fr= 1--      0.0025                 0.0097                -0.0021
 Gamma2 Fr= 1--      0.1049                -0.4033                 0.4941
 Delta2 Fr= 1--      0.1917                -0.7728                 0.2381
 Raman1 Fr= 1--       1.625                  4.865                 11.741
 ROA1   Fr= 1--      16.204                -63.444                 55.054
 CID1   Fr= 1--       9.974                -13.040                  4.689
 Raman2 Fr= 1--       0.563                  1.458                  3.779
 ROA2   Fr= 1--       0.984                 -3.497                  9.953
 CID2   Fr= 1--       1.748                 -2.398                  2.634
 Raman3 Fr= 1--       1.125                  2.917                  7.557
 ROA3   Fr= 1--      16.204                -63.444                 55.054
 CID3   Fr= 1--      14.398                -21.750                  7.285
 RC180  Fr= 1--       0.386                  0.199                  0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02   0.11    -0.04   0.07   0.01     0.02   0.06   0.02
     2   6     0.05  -0.04   0.13     0.05   0.11  -0.05    -0.01   0.17   0.09
     3   6     0.09  -0.01   0.02    -0.04  -0.09   0.09    -0.00  -0.11  -0.10
     4   6     0.01  -0.01  -0.02     0.00  -0.12   0.10     0.00  -0.09  -0.09
     5   6    -0.03   0.01   0.04     0.10  -0.09   0.05    -0.05  -0.11  -0.07
     6   6    -0.00  -0.01   0.12     0.11   0.05  -0.03    -0.03   0.06   0.04
     7   6     0.03   0.01  -0.05     0.06   0.06  -0.07    -0.03   0.08   0.08
     8   6     0.00   0.03  -0.11     0.06  -0.01   0.08    -0.00   0.06  -0.02
     9   6    -0.11  -0.12  -0.10     0.01   0.01   0.09    -0.04  -0.16   0.03
    10   6     0.04   0.13  -0.02    -0.08  -0.16  -0.04    -0.03  -0.02  -0.13
    11   6    -0.01   0.02  -0.09    -0.03   0.01  -0.04     0.05   0.01   0.02
    12   6    -0.02   0.03  -0.08    -0.02   0.06  -0.10     0.04   0.03   0.06
    13   8    -0.05   0.14  -0.02    -0.07   0.19  -0.03     0.01  -0.03   0.05
    14   8     0.00  -0.09  -0.00    -0.02  -0.04  -0.03    -0.03   0.12   0.02
    15   1     0.16  -0.03   0.14    -0.14   0.13  -0.01     0.07   0.06   0.04
    16   1     0.14  -0.01  -0.02    -0.10  -0.13   0.12    -0.00  -0.19  -0.14
    17   1    -0.08   0.04   0.02     0.20  -0.14   0.08    -0.11  -0.17  -0.12
    18   1    -0.06  -0.00   0.17     0.18   0.07  -0.08    -0.05   0.06   0.05
    19   1    -0.13   0.02  -0.08     0.04   0.25  -0.11    -0.07  -0.04   0.10
    20   1     0.16   0.03  -0.11    -0.00  -0.07  -0.23    -0.07   0.12   0.16
    21   1     0.01   0.06  -0.10     0.08   0.03   0.11    -0.00   0.06  -0.02
    22   1    -0.16  -0.13   0.08     0.03  -0.01   0.09    -0.03  -0.24   0.26
    23   1    -0.15  -0.19  -0.18    -0.03   0.01   0.11    -0.08  -0.32  -0.17
    24   1    -0.14  -0.19  -0.16     0.01   0.04   0.05    -0.05  -0.22   0.05
    25   1     0.12   0.29   0.15    -0.09  -0.24   0.00    -0.04  -0.02  -0.18
    26   1    -0.14   0.17  -0.04    -0.17  -0.36  -0.01    -0.02  -0.18  -0.09
    27   1     0.22   0.01  -0.06    -0.15  -0.04  -0.27    -0.05   0.03  -0.26
    28   1    -0.00   0.10  -0.07    -0.14   0.11  -0.04     0.10  -0.02   0.03
    29   6    -0.07  -0.07   0.06    -0.02  -0.06   0.00     0.12  -0.01   0.00
    30   1     0.01  -0.06   0.11    -0.05  -0.02   0.06    -0.12   0.07  -0.07
    31   1    -0.04  -0.10   0.20    -0.01  -0.14   0.08     0.10  -0.08  -0.07
    32   1    -0.01  -0.05   0.10     0.06  -0.03  -0.00     0.18   0.02   0.03
    33   1    -0.22  -0.16   0.02    -0.11  -0.07  -0.01     0.18  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    389.8100               406.7442               420.3844
 Red. masses --      2.5216                 1.9381                 3.3094
 Frc consts  --      0.2258                 0.1889                 0.3446
 IR Inten    --      1.4281                 0.0486                 1.1967
 RamAct Fr= 1--      1.6002                 0.9695                 2.1045
  Dep-P Fr= 1--      0.4401                 0.1482                 0.1298
  Dep-U Fr= 1--      0.6112                 0.2581                 0.2297
 Alpha2 Fr= 1--      0.0102                 0.0151                 0.0342
 Beta2  Fr= 1--      0.1630                 0.0417                 0.0806
 AlphaG Fr= 1--     -0.0029                -0.0168                 0.0782
 Gamma2 Fr= 1--      0.0329                -0.0519                 1.8671
 Delta2 Fr= 1--     -0.1560                -0.0405                 0.4082
 Raman1 Fr= 1--       6.401                  3.878                  8.418
 ROA1   Fr= 1--      -1.835                 -6.276                192.304
 CID1   Fr= 1--      -0.287                 -1.618                 22.844
 Raman2 Fr= 1--       1.956                  0.500                  0.967
 ROA2   Fr= 1--       2.037                 -0.921                 41.544
 CID2   Fr= 1--       1.041                 -1.841                 42.970
 Raman3 Fr= 1--       3.912                  1.001                  1.934
 ROA3   Fr= 1--      -1.835                 -6.276                192.304
 CID3   Fr= 1--      -0.469                 -6.270                 99.452
 RC180  Fr= 1--       0.222                 -0.484                 -0.541
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.02   0.05  -0.03     0.00   0.18   0.04
     2   6     0.00   0.08   0.03     0.03   0.01  -0.08    -0.07   0.02   0.02
     3   6    -0.01  -0.07  -0.03    -0.03  -0.05   0.04    -0.02  -0.16  -0.08
     4   6    -0.00  -0.10  -0.04    -0.02  -0.01   0.06     0.07  -0.02  -0.00
     5   6    -0.00  -0.06  -0.02     0.05   0.04   0.03     0.04   0.13   0.09
     6   6     0.01   0.06   0.02     0.02  -0.02  -0.09    -0.02  -0.17  -0.03
     7   6    -0.02  -0.08  -0.01     0.07  -0.06   0.14    -0.11   0.00   0.01
     8   6     0.06  -0.13  -0.06     0.03   0.03  -0.05    -0.09  -0.02   0.01
     9   6    -0.05   0.09  -0.13    -0.03  -0.06  -0.04     0.02   0.02   0.01
    10   6    -0.01  -0.01   0.16     0.01   0.07  -0.00     0.01   0.00  -0.01
    11   6     0.02  -0.00  -0.00    -0.05  -0.02   0.02     0.12   0.04  -0.02
    12   6     0.02   0.03   0.02    -0.03   0.00  -0.01     0.07  -0.00  -0.07
    13   8    -0.01   0.02   0.03    -0.00   0.04  -0.01    -0.04  -0.01  -0.03
    14   8    -0.02   0.07   0.00    -0.00   0.00  -0.01     0.01  -0.10  -0.00
    15   1     0.02   0.12   0.04    -0.10   0.12  -0.05     0.06   0.35   0.12
    16   1    -0.02  -0.11  -0.04    -0.07  -0.09   0.05    -0.09  -0.36  -0.11
    17   1    -0.01  -0.08  -0.03     0.13   0.07   0.08     0.02   0.32   0.14
    18   1     0.02   0.08   0.02     0.05  -0.06  -0.14     0.00  -0.34  -0.13
    19   1    -0.07  -0.14  -0.01     0.28  -0.47   0.26    -0.11   0.02   0.00
    20   1    -0.09  -0.10   0.01    -0.06   0.16   0.54    -0.12  -0.01  -0.01
    21   1     0.06  -0.13  -0.06     0.04   0.06  -0.05    -0.11  -0.07  -0.01
    22   1    -0.15   0.20  -0.28    -0.03  -0.10   0.10     0.06   0.02  -0.09
    23   1    -0.07   0.26   0.12    -0.10  -0.13  -0.11     0.08   0.03   0.01
    24   1    -0.10   0.10  -0.33    -0.04  -0.07  -0.09     0.05   0.03   0.12
    25   1    -0.01  -0.13   0.32     0.01   0.06   0.02     0.01   0.07  -0.09
    26   1    -0.06   0.30   0.10     0.01   0.14  -0.02     0.09   0.01   0.00
    27   1    -0.06  -0.03   0.38     0.02   0.05   0.05     0.04  -0.04   0.05
    28   1     0.02  -0.01  -0.00    -0.10  -0.01   0.01     0.10   0.11  -0.01
    29   6     0.04  -0.02  -0.00    -0.02  -0.02  -0.02     0.04   0.09   0.04
    30   1    -0.09   0.04  -0.04     0.06   0.02  -0.02    -0.16  -0.11   0.15
    31   1     0.03  -0.07  -0.03    -0.03  -0.05  -0.04     0.06   0.16   0.13
    32   1     0.09  -0.01   0.01    -0.01  -0.02  -0.03    -0.01   0.07   0.01
    33   1     0.05  -0.03  -0.00    -0.01  -0.00  -0.01    -0.03   0.09   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    426.6512               475.1605               561.8093
 Red. masses --      3.2221                 3.3424                 2.9733
 Frc consts  --      0.3456                 0.4446                 0.5529
 IR Inten    --      1.9970                 3.4841                32.4741
 RamAct Fr= 1--      2.4472                 0.6471                 0.0713
  Dep-P Fr= 1--      0.1209                 0.2586                 0.7134
  Dep-U Fr= 1--      0.2157                 0.4109                 0.8327
 Alpha2 Fr= 1--      0.0407                 0.0075                 0.0000
 Beta2  Fr= 1--      0.0880                 0.0443                 0.0099
 AlphaG Fr= 1--     -0.0873                 0.0055                -0.0012
 Gamma2 Fr= 1--     -1.0063                -0.0954                -0.0393
 Delta2 Fr= 1--     -0.0506                -0.0316                -0.0850
 Raman1 Fr= 1--       9.789                  2.588                  0.285
 ROA1   Fr= 1--     -98.222                -10.167                 -6.489
 CID1   Fr= 1--     -10.034                 -3.928                -22.759
 Raman2 Fr= 1--       1.056                  0.532                  0.119
 ROA2   Fr= 1--     -23.746                 -2.036                 -0.262
 CID2   Fr= 1--     -22.497                 -3.827                 -2.210
 Raman3 Fr= 1--       2.111                  1.064                  0.237
 ROA3   Fr= 1--     -98.222                -10.167                 -6.489
 CID3   Fr= 1--     -46.528                 -9.558                -27.331
 RC180  Fr= 1--      -0.569                 -0.178                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08   0.10    -0.04  -0.06   0.00     0.01  -0.06  -0.07
     2   6     0.07  -0.05   0.03     0.02   0.11   0.05    -0.04   0.16   0.05
     3   6     0.00  -0.09  -0.05    -0.05  -0.03  -0.01     0.04   0.02  -0.00
     4   6    -0.08   0.04  -0.03    -0.04   0.15   0.04     0.11   0.18   0.08
     5   6    -0.03   0.17  -0.01    -0.07  -0.01  -0.03     0.06   0.00   0.06
     6   6    -0.04  -0.14  -0.04    -0.06  -0.05  -0.03     0.03  -0.10  -0.00
     7   6     0.11   0.02  -0.08     0.07   0.08   0.01    -0.10   0.07   0.04
     8   6     0.09   0.02   0.02     0.21   0.01  -0.02     0.01  -0.02  -0.01
     9   6     0.00   0.02   0.01    -0.03  -0.02  -0.05    -0.01  -0.01  -0.03
    10   6    -0.02  -0.04  -0.01    -0.02  -0.05   0.03    -0.00  -0.03   0.02
    11   6    -0.12  -0.05   0.02    -0.02   0.09   0.07     0.05  -0.06  -0.10
    12   6    -0.08  -0.00   0.09    -0.03  -0.01  -0.05     0.01  -0.03   0.04
    13   8     0.06  -0.01   0.04    -0.01  -0.06  -0.08     0.02   0.02   0.06
    14   8    -0.01   0.12   0.01     0.04  -0.15   0.02    -0.02   0.07  -0.02
    15   1     0.07   0.22   0.14    -0.07  -0.20  -0.05     0.01  -0.37  -0.16
    16   1     0.07  -0.20  -0.15    -0.04  -0.16  -0.08    -0.05  -0.24  -0.06
    17   1    -0.01   0.32   0.05    -0.09  -0.14  -0.08     0.00  -0.25  -0.04
    18   1    -0.14  -0.28  -0.03    -0.13  -0.20  -0.05     0.06  -0.38  -0.17
    19   1     0.02   0.22  -0.14    -0.01   0.07   0.00    -0.14   0.03   0.04
    20   1     0.19  -0.07  -0.27     0.02   0.03  -0.02    -0.17   0.05   0.05
    21   1     0.11   0.07   0.03     0.21   0.02  -0.02    -0.01  -0.09  -0.03
    22   1    -0.01   0.01   0.07    -0.15   0.02   0.13    -0.03   0.01  -0.02
    23   1    -0.05   0.01   0.04    -0.16  -0.01   0.01    -0.02   0.01  -0.00
    24   1    -0.02   0.02  -0.07    -0.11  -0.07  -0.32    -0.02  -0.02  -0.08
    25   1    -0.03  -0.11   0.06    -0.05  -0.28   0.21    -0.01  -0.07   0.05
    26   1    -0.09  -0.09  -0.00    -0.17  -0.02   0.01    -0.02  -0.00   0.01
    27   1    -0.08   0.03  -0.11    -0.17   0.08  -0.06    -0.03  -0.01   0.03
    28   1    -0.08  -0.15   0.01    -0.02   0.14   0.08     0.02  -0.16  -0.12
    29   6    -0.04  -0.10  -0.05     0.06   0.12   0.06    -0.10  -0.09  -0.07
    30   1     0.20   0.13  -0.18     0.20  -0.07   0.21    -0.05   0.02  -0.19
    31   1    -0.06  -0.17  -0.15     0.05   0.11  -0.00    -0.06   0.04   0.11
    32   1     0.02  -0.07  -0.01     0.06   0.11   0.02    -0.20  -0.12  -0.01
    33   1     0.04  -0.11  -0.04     0.11   0.18   0.08    -0.25  -0.21  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --    574.6024               626.7040               643.7009
 Red. masses --      1.9074                 2.0760                 2.7198
 Frc consts  --      0.3710                 0.4804                 0.6640
 IR Inten    --     34.4608                36.9723                33.0647
 RamAct Fr= 1--      0.7567                 1.2486                 2.7184
  Dep-P Fr= 1--      0.4647                 0.4965                 0.6801
  Dep-U Fr= 1--      0.6345                 0.6636                 0.8096
 Alpha2 Fr= 1--      0.0044                 0.0063                 0.0033
 Beta2  Fr= 1--      0.0800                 0.1381                 0.3668
 AlphaG Fr= 1--      0.0173                 0.0156                -0.0120
 Gamma2 Fr= 1--     -0.4435                -0.4463                -0.3461
 Delta2 Fr= 1--     -0.1093                 0.3307                -0.3036
 Raman1 Fr= 1--       3.027                  4.994                 10.874
 ROA1   Fr= 1--     -46.074                -32.259                -42.945
 CID1   Fr= 1--     -15.221                 -6.459                 -3.949
 Raman2 Fr= 1--       0.960                  1.657                  4.402
 ROA2   Fr= 1--      -9.770                -13.356                 -5.879
 CID2   Fr= 1--     -10.174                 -8.060                 -1.336
 Raman3 Fr= 1--       1.921                  3.314                  8.804
 ROA3   Fr= 1--     -46.074                -32.259                -42.945
 CID3   Fr= 1--     -23.989                 -9.734                 -4.878
 RC180  Fr= 1--       0.269                  0.327                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02   0.01    -0.04  -0.02  -0.02     0.06   0.02  -0.09
     2   6     0.05   0.07   0.03    -0.07  -0.06  -0.00    -0.04  -0.02  -0.06
     3   6     0.04  -0.05  -0.02    -0.03   0.05  -0.04     0.09  -0.03   0.06
     4   6     0.01   0.05   0.01     0.05  -0.07  -0.05     0.03  -0.07   0.03
     5   6     0.04  -0.04  -0.05     0.03   0.02   0.02    -0.07  -0.03   0.12
     6   6     0.06   0.03   0.00     0.01  -0.05   0.04    -0.09   0.02  -0.03
     7   6    -0.02  -0.05  -0.01    -0.04   0.07   0.04    -0.02   0.03  -0.00
     8   6    -0.12  -0.03   0.00     0.08   0.02  -0.00     0.04   0.01   0.00
     9   6    -0.00   0.01   0.01     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    10   6    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.00  -0.01   0.00
    11   6    -0.06   0.01   0.06     0.08  -0.06   0.03     0.02   0.09  -0.13
    12   6    -0.13  -0.01   0.01    -0.03  -0.06  -0.00     0.03   0.08   0.01
    13   8     0.00   0.02  -0.03    -0.01   0.09   0.05    -0.02  -0.11  -0.05
    14   8    -0.03  -0.04   0.01    -0.07  -0.02  -0.07    -0.04   0.03   0.13
    15   1     0.06  -0.07  -0.02     0.04   0.10   0.05     0.03   0.13  -0.07
    16   1     0.06  -0.18  -0.10    -0.04   0.22   0.04     0.03   0.05   0.15
    17   1     0.05  -0.19  -0.09    -0.02   0.21   0.06    -0.03   0.07   0.17
    18   1     0.04  -0.06  -0.03     0.05   0.10   0.08     0.00   0.13  -0.05
    19   1    -0.04  -0.04  -0.02    -0.04   0.05   0.04    -0.01   0.06  -0.00
    20   1    -0.03  -0.05  -0.01    -0.04   0.07   0.03    -0.02   0.01  -0.03
    21   1    -0.11  -0.01   0.01     0.06  -0.06  -0.03     0.02  -0.02  -0.01
    22   1     0.07  -0.01  -0.14    -0.07   0.01   0.11    -0.03   0.01   0.04
    23   1     0.08   0.03   0.00    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00
    24   1     0.05   0.06   0.16    -0.04  -0.06  -0.15    -0.02  -0.02  -0.06
    25   1     0.02   0.16  -0.09    -0.02  -0.14   0.08    -0.01  -0.06   0.03
    26   1     0.08   0.03   0.00    -0.06  -0.03   0.00    -0.02  -0.02   0.00
    27   1     0.10  -0.09   0.08    -0.08   0.07  -0.05    -0.04   0.03  -0.03
    28   1    -0.02   0.01   0.07     0.13  -0.05   0.05    -0.03   0.05  -0.15
    29   6     0.01   0.03   0.02     0.03   0.03   0.03    -0.02  -0.02  -0.03
    30   1     0.77   0.14  -0.14     0.63   0.08  -0.42     0.72   0.22   0.09
    31   1    -0.01   0.01  -0.07     0.04   0.14   0.03     0.01  -0.07   0.11
    32   1     0.00   0.02  -0.04    -0.08  -0.03  -0.09     0.07   0.04   0.15
    33   1     0.09   0.11   0.05     0.05   0.13   0.05    -0.15  -0.23  -0.10
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.9918               708.2046               759.2806
 Red. masses --      5.0120                 2.9520                 4.0275
 Frc consts  --      1.3098                 0.8724                 1.3680
 IR Inten    --      8.6141                35.4656                12.7880
 RamAct Fr= 1--      4.6715                 0.2104                 8.7801
  Dep-P Fr= 1--      0.5552                 0.7470                 0.0041
  Dep-U Fr= 1--      0.7140                 0.8552                 0.0082
 Alpha2 Fr= 1--      0.0173                 0.0000                 0.1933
 Beta2  Fr= 1--      0.5559                 0.0300                 0.0119
 AlphaG Fr= 1--     -0.0543                -0.0008                 0.0114
 Gamma2 Fr= 1--     -0.0560                 0.2923                 0.2173
 Delta2 Fr= 1--     -0.0393                -0.1293                -0.0009
 Raman1 Fr= 1--      18.686                  0.841                 35.121
 ROA1   Fr= 1--      -6.634                 23.927                 20.832
 CID1   Fr= 1--      -0.355                 28.435                  0.593
 Raman2 Fr= 1--       6.671                  0.360                  0.143
 ROA2   Fr= 1--      -1.030                  8.050                  5.223
 CID2   Fr= 1--      -0.154                 22.375                 36.443
 Raman3 Fr= 1--      13.341                  0.720                  0.287
 ROA3   Fr= 1--      -6.634                 23.927                 20.832
 CID3   Fr= 1--      -0.497                 33.250                 72.680
 RC180  Fr= 1--       0.428                  0.710                 -0.984
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.16     0.09  -0.05  -0.08    -0.01  -0.14   0.05
     2   6    -0.01  -0.04   0.07    -0.03   0.01   0.01     0.10   0.19   0.07
     3   6    -0.21   0.07  -0.10     0.11   0.02  -0.02     0.02   0.09   0.12
     4   6     0.01   0.01  -0.08     0.01  -0.09  -0.03    -0.11  -0.18  -0.06
     5   6     0.20   0.02  -0.14     0.08   0.02   0.01     0.00   0.15  -0.05
     6   6     0.23  -0.08   0.12     0.06  -0.07  -0.01    -0.03  -0.07  -0.13
     7   6    -0.02   0.01   0.03    -0.13   0.15   0.07     0.04   0.06   0.02
     8   6     0.01   0.00  -0.00    -0.01  -0.01  -0.00    -0.10  -0.03   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.07    -0.02  -0.02  -0.06
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.03    -0.01  -0.05   0.03
    11   6    -0.00   0.08  -0.11    -0.12   0.00   0.10    -0.01  -0.00   0.01
    12   6     0.03   0.12  -0.01    -0.14   0.04   0.01     0.21   0.02  -0.05
    13   8    -0.03  -0.11  -0.09     0.02   0.00  -0.09    -0.05  -0.01   0.05
    14   8     0.00   0.04   0.14     0.07   0.01   0.03    -0.07  -0.02  -0.00
    15   1    -0.10  -0.02   0.20     0.19   0.09   0.01    -0.12  -0.35  -0.06
    16   1    -0.16   0.12  -0.11     0.16   0.28   0.06     0.13   0.22   0.09
    17   1     0.13   0.11  -0.14     0.14   0.27   0.12     0.11   0.25   0.02
    18   1     0.20  -0.03   0.17     0.14   0.10   0.00    -0.16  -0.31  -0.15
    19   1     0.03  -0.11   0.07    -0.15   0.15   0.07    -0.00   0.07   0.01
    20   1    -0.05   0.08   0.14    -0.13   0.13   0.05     0.01   0.05   0.03
    21   1     0.01  -0.03  -0.00    -0.06  -0.17  -0.06    -0.08   0.03   0.02
    22   1    -0.02  -0.00   0.02    -0.04  -0.00  -0.03     0.07  -0.03  -0.21
    23   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.06     0.06   0.01  -0.07
    24   1    -0.01  -0.02  -0.02    -0.02  -0.04  -0.11     0.04   0.04   0.09
    25   1    -0.00  -0.04   0.03    -0.00  -0.11   0.06     0.02   0.10  -0.05
    26   1    -0.01  -0.01   0.01    -0.01  -0.06   0.03     0.08  -0.03   0.04
    27   1    -0.01   0.01  -0.00    -0.03  -0.03   0.03     0.11  -0.16   0.12
    28   1    -0.04   0.04  -0.13    -0.07   0.01   0.11    -0.05   0.12   0.03
    29   6    -0.04  -0.04  -0.06    -0.03  -0.01   0.01     0.01   0.01   0.01
    30   1     0.33   0.16   0.30    -0.34  -0.02   0.34     0.25   0.03  -0.16
    31   1    -0.02  -0.12   0.04    -0.08  -0.14  -0.21    -0.01  -0.08  -0.06
    32   1     0.06   0.02   0.12     0.05   0.00  -0.08     0.10   0.04   0.01
    33   1    -0.15  -0.24  -0.12     0.16   0.12   0.06     0.08   0.04   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    785.5583               822.9498               832.2749
 Red. masses --      3.0906                 3.3060                 2.5160
 Frc consts  --      1.1237                 1.3192                 1.0268
 IR Inten    --      1.3590                 9.3489                 0.9230
 RamAct Fr= 1--     26.5096                 3.3408                 7.5450
  Dep-P Fr= 1--      0.0239                 0.1936                 0.1258
  Dep-U Fr= 1--      0.0466                 0.3245                 0.2235
 Alpha2 Fr= 1--      0.5571                 0.0461                 0.1240
 Beta2  Fr= 1--      0.2060                 0.1807                 0.2810
 AlphaG Fr= 1--     -0.0426                -0.0311                 0.0117
 Gamma2 Fr= 1--     -1.1157                -0.1310                 1.2187
 Delta2 Fr= 1--     -0.0718                 0.0232                 0.2129
 Raman1 Fr= 1--     106.038                 13.363                 30.180
 ROA1   Fr= 1--    -109.408                -11.833                123.812
 CID1   Fr= 1--      -1.032                 -0.885                  4.102
 Raman2 Fr= 1--       2.472                  2.168                  3.372
 ROA2   Fr= 1--     -26.203                 -3.330                 27.546
 CID2   Fr= 1--     -10.602                 -1.536                  8.169
 Raman3 Fr= 1--       4.943                  4.336                  6.744
 ROA3   Fr= 1--    -109.408                -11.833                123.812
 CID3   Fr= 1--     -22.133                 -2.729                 18.359
 RC180  Fr= 1--      -0.907                 -0.351                 -0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.08     0.06   0.05  -0.00    -0.03   0.04  -0.05
     2   6     0.03  -0.11  -0.05    -0.04  -0.13  -0.03    -0.01  -0.03  -0.01
     3   6    -0.01  -0.09   0.04     0.05  -0.01  -0.03    -0.05   0.06  -0.06
     4   6    -0.03   0.13   0.05    -0.02   0.08   0.04     0.04  -0.03  -0.01
     5   6    -0.01  -0.05  -0.08     0.03   0.01  -0.04    -0.04   0.02   0.09
     6   6    -0.00   0.05  -0.04     0.03   0.06   0.01    -0.04   0.02   0.07
     7   6     0.03   0.19   0.07    -0.10   0.02   0.03     0.13   0.04   0.00
     8   6    -0.11   0.02   0.02     0.04   0.01   0.00    -0.06   0.04   0.02
     9   6    -0.01  -0.03  -0.16     0.02   0.01   0.01    -0.01  -0.01  -0.10
    10   6     0.02  -0.13   0.10     0.01   0.02  -0.01     0.00  -0.07   0.07
    11   6     0.01   0.04  -0.06    -0.09  -0.03   0.14     0.07  -0.11   0.07
    12   6     0.03  -0.04   0.02     0.28   0.06  -0.10    -0.02   0.06  -0.05
    13   8     0.02  -0.01   0.06    -0.07  -0.01   0.02    -0.03   0.02  -0.08
    14   8    -0.01  -0.02  -0.04    -0.06  -0.02   0.02     0.01   0.04   0.07
    15   1    -0.03   0.32   0.16     0.12   0.01   0.01    -0.02  -0.12  -0.10
    16   1     0.04  -0.05   0.02     0.07  -0.24  -0.16    -0.15  -0.11  -0.07
    17   1     0.06   0.02  -0.03     0.01  -0.33  -0.16    -0.19  -0.28  -0.06
    18   1    -0.01   0.36   0.11     0.02  -0.03  -0.03    -0.06  -0.25  -0.04
    19   1     0.14   0.22   0.08    -0.10   0.06   0.02     0.21   0.11   0.00
    20   1     0.12   0.24   0.08    -0.06   0.01  -0.02     0.23   0.07  -0.01
    21   1    -0.12  -0.04  -0.00    -0.01  -0.14  -0.06    -0.02   0.16   0.06
    22   1     0.05  -0.06  -0.23    -0.06   0.03   0.14     0.07  -0.06  -0.17
    23   1     0.06  -0.06  -0.23    -0.06  -0.01   0.02     0.06  -0.05  -0.20
    24   1     0.03  -0.01  -0.03    -0.03  -0.05  -0.12     0.03   0.01   0.05
    25   1     0.03  -0.03   0.01    -0.01  -0.10   0.05     0.02   0.05  -0.04
    26   1     0.10  -0.20   0.12    -0.05   0.01  -0.02     0.10  -0.16   0.09
    27   1     0.09  -0.19   0.12    -0.08   0.10  -0.07     0.10  -0.15   0.07
    28   1    -0.04  -0.01  -0.08    -0.12   0.24   0.19     0.14  -0.05   0.10
    29   6     0.01   0.02  -0.01    -0.08  -0.08  -0.02    -0.00  -0.06   0.00
    30   1    -0.01  -0.05  -0.18     0.17   0.04  -0.02     0.06   0.10   0.26
    31   1     0.03   0.04   0.12    -0.14  -0.20  -0.32    -0.00   0.11  -0.06
    32   1     0.02   0.04   0.11     0.00  -0.08  -0.21    -0.20  -0.17  -0.26
    33   1    -0.11  -0.12  -0.06     0.19   0.18   0.08     0.06   0.18   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --    856.0954               857.7443               869.9837
 Red. masses --      1.3089                 3.2313                 1.7783
 Frc consts  --      0.5652                 1.4007                 0.7930
 IR Inten    --      1.6830                 5.8184                23.1868
 RamAct Fr= 1--      1.2224                10.7385                 3.1887
  Dep-P Fr= 1--      0.2113                 0.2188                 0.0435
  Dep-U Fr= 1--      0.3489                 0.3590                 0.0833
 Alpha2 Fr= 1--      0.0161                 0.1387                 0.0640
 Beta2  Fr= 1--      0.0711                 0.6425                 0.0443
 AlphaG Fr= 1--      0.0027                -0.0535                -0.0113
 Gamma2 Fr= 1--     -0.4845                 0.7144                 0.3089
 Delta2 Fr= 1--     -0.4019                -0.0759                 0.4950
 Raman1 Fr= 1--       4.889                 42.954                 12.755
 ROA1   Fr= 1--     -59.373                 66.150                 45.498
 CID1   Fr= 1--     -12.143                  1.540                  3.567
 Raman2 Fr= 1--       0.853                  7.710                  0.531
 ROA2   Fr= 1--      -8.413                 17.752                  3.454
 CID2   Fr= 1--      -9.865                  2.302                  6.501
 Raman3 Fr= 1--       1.706                 15.420                  1.063
 ROA3   Fr= 1--     -59.373                 66.150                 45.498
 CID3   Fr= 1--     -34.807                  4.290                 42.821
 RC180  Fr= 1--      -0.302                 -0.282                 -0.833
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01    -0.01  -0.04   0.15    -0.02  -0.09  -0.04
     2   6     0.00   0.02   0.01     0.02  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.00   0.06   0.01     0.05  -0.05   0.15    -0.02  -0.08  -0.05
     4   6     0.01   0.03   0.01    -0.03   0.00   0.01     0.03   0.11   0.04
     5   6    -0.02  -0.09  -0.03     0.01   0.06  -0.14    -0.02  -0.04  -0.01
     6   6    -0.02  -0.07  -0.02    -0.06   0.07  -0.14    -0.02  -0.04  -0.01
     7   6     0.02  -0.01   0.01    -0.11   0.02   0.02     0.05  -0.02  -0.01
     8   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.01    -0.01  -0.04  -0.01
     9   6    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.01  -0.01   0.03
    10   6    -0.01   0.00  -0.00     0.01   0.03  -0.03    -0.02   0.01  -0.03
    11   6     0.01  -0.02   0.03     0.16  -0.13   0.01     0.03  -0.03   0.05
    12   6     0.02   0.01  -0.02    -0.08   0.05  -0.03     0.05   0.02  -0.03
    13   8    -0.01   0.00  -0.01    -0.02   0.03  -0.08    -0.02   0.01  -0.02
    14   8    -0.00   0.01   0.01     0.02   0.06   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.36  -0.14    -0.14  -0.03   0.11     0.07   0.57   0.20
    16   1    -0.07  -0.36  -0.14     0.13  -0.15   0.04     0.05   0.52   0.19
    17   1     0.06   0.56   0.21     0.10  -0.07  -0.14    -0.01   0.21   0.08
    18   1     0.06   0.50   0.19    -0.16   0.06  -0.07    -0.00   0.21   0.09
    19   1    -0.01   0.03  -0.01    -0.13   0.01   0.02    -0.03  -0.04  -0.02
    20   1     0.02  -0.04  -0.04    -0.13   0.00   0.01    -0.01  -0.06  -0.03
    21   1     0.01   0.03  -0.00    -0.02  -0.17  -0.06     0.02   0.07   0.02
    22   1     0.00  -0.00  -0.01    -0.05   0.03   0.11     0.02  -0.00  -0.06
    23   1     0.01   0.00   0.01    -0.05   0.01   0.08     0.02   0.04   0.07
    24   1     0.00   0.01   0.00    -0.03  -0.03  -0.08     0.01   0.04   0.07
    25   1     0.00   0.04  -0.02    -0.01  -0.07   0.04     0.00   0.09  -0.03
    26   1     0.01   0.01  -0.00    -0.06   0.06  -0.04     0.01   0.08  -0.04
    27   1     0.02  -0.02   0.01    -0.07   0.09  -0.04     0.03  -0.04   0.04
    28   1     0.01   0.00   0.03     0.23  -0.19   0.01     0.04   0.04   0.07
    29   6    -0.01  -0.02  -0.01     0.06  -0.05   0.00    -0.03  -0.07  -0.02
    30   1     0.02   0.02   0.03     0.04   0.10   0.24     0.04   0.03   0.06
    31   1    -0.01   0.02  -0.03     0.11   0.33   0.18    -0.03   0.06  -0.04
    32   1    -0.06  -0.05  -0.07    -0.31  -0.20  -0.22    -0.15  -0.13  -0.18
    33   1     0.00   0.04   0.01    -0.09   0.12   0.02     0.00   0.09   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7413               942.7612               958.7782
 Red. masses --      1.5468                 1.2134                 1.5498
 Frc consts  --      0.7394                 0.6354                 0.8394
 IR Inten    --      0.1895                 0.3212                 0.0395
 RamAct Fr= 1--      0.5894                 0.2414                 5.1819
  Dep-P Fr= 1--      0.7280                 0.7413                 0.7488
  Dep-U Fr= 1--      0.8426                 0.8514                 0.8564
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0828                 0.0343                 0.7396
 AlphaG Fr= 1--     -0.0004                -0.0005                -0.0024
 Gamma2 Fr= 1--      0.3282                -0.0830                 0.5148
 Delta2 Fr= 1--      0.2873                -0.0352                -1.0722
 Raman1 Fr= 1--       2.358                  0.966                 20.728
 ROA1   Fr= 1--      40.699                 -9.093                 15.110
 CID1   Fr= 1--      17.262                 -9.417                  0.729
 Raman2 Fr= 1--       0.993                  0.411                  8.875
 ROA2   Fr= 1--       5.577                 -1.711                 20.933
 CID2   Fr= 1--       5.615                 -4.162                  2.359
 Raman3 Fr= 1--       1.987                  0.822                 17.751
 ROA3   Fr= 1--      40.699                 -9.093                 15.110
 CID3   Fr= 1--      20.486                -11.060                  0.851
 RC180  Fr= 1--       0.685                  0.703                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00  -0.00   0.01
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00   0.02   0.01
     5   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.09  -0.05
     6   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.10   0.03
     7   6     0.02  -0.06   0.16    -0.01   0.03  -0.06    -0.04  -0.07  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.08   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.06
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.06
    11   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.03   0.03  -0.03     0.01  -0.01   0.02    -0.01  -0.04  -0.00
    16   1    -0.06   0.03   0.04     0.03  -0.00  -0.01     0.04   0.13   0.06
    17   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.09   0.56   0.19
    18   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.08  -0.56  -0.22
    19   1    -0.16   0.49   0.01     0.08  -0.20  -0.00    -0.05  -0.05  -0.02
    20   1     0.12  -0.36  -0.35    -0.06   0.14   0.15    -0.04  -0.07  -0.01
    21   1    -0.02   0.07  -0.20    -0.03   0.10  -0.27     0.01   0.09   0.03
    22   1    -0.10   0.04   0.14    -0.11   0.11  -0.15     0.01  -0.02   0.13
    23   1    -0.13  -0.02   0.01    -0.12   0.17   0.41     0.00  -0.10  -0.25
    24   1    -0.05  -0.09  -0.33    -0.03   0.06  -0.37    -0.01  -0.07  -0.01
    25   1    -0.01   0.29  -0.19    -0.05   0.20  -0.31    -0.01  -0.05  -0.04
    26   1     0.13   0.02  -0.00     0.19  -0.39   0.16     0.05  -0.23   0.11
    27   1     0.13  -0.11   0.05     0.07   0.03  -0.20    -0.02   0.06  -0.11
    28   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.02   0.02   0.01
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.03    -0.01  -0.00  -0.01    -0.01   0.01  -0.01
    32   1     0.01   0.02   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.03
    33   1    -0.03  -0.03  -0.02     0.01   0.01   0.01    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    970.0690               973.8051               982.0901
 Red. masses --      1.6845                 1.5729                 1.4181
 Frc consts  --      0.9339                 0.8788                 0.8058
 IR Inten    --      0.2446                 0.0142                 0.0483
 RamAct Fr= 1--      4.8300                 3.0928                 0.3496
  Dep-P Fr= 1--      0.7480                 0.7486                 0.7419
  Dep-U Fr= 1--      0.8558                 0.8562                 0.8518
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      0.6889                 0.4414                 0.0496
 AlphaG Fr= 1--      0.0044                -0.0005                 0.0001
 Gamma2 Fr= 1--     -2.0544                -0.0792                 0.9674
 Delta2 Fr= 1--      0.8753                -0.0207                 0.0710
 Raman1 Fr= 1--      19.320                 12.371                  1.398
 ROA1   Fr= 1--    -169.209                 -8.266                 95.146
 CID1   Fr= 1--      -8.758                 -0.668                 68.045
 Raman2 Fr= 1--       8.267                  5.296                  0.596
 ROA2   Fr= 1--     -56.307                 -1.736                 22.651
 CID2   Fr= 1--      -6.811                 -0.328                 38.033
 Raman3 Fr= 1--      16.534                 10.593                  1.191
 ROA3   Fr= 1--    -169.209                 -8.266                 95.146
 CID3   Fr= 1--     -10.234                 -0.780                 79.880
 RC180  Fr= 1--       0.712                  0.712                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02     0.00  -0.00   0.01    -0.01  -0.11  -0.05
     2   6    -0.01   0.04   0.02    -0.00   0.00  -0.00    -0.01   0.03   0.01
     3   6     0.01  -0.06  -0.00     0.01  -0.00   0.00     0.02   0.10   0.04
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.07   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
     6   6    -0.01  -0.08  -0.04    -0.00  -0.01   0.00     0.00  -0.02  -0.00
     7   6    -0.05  -0.11  -0.03    -0.01   0.01  -0.05    -0.02  -0.05  -0.02
     8   6     0.01   0.10   0.04    -0.01   0.05  -0.10     0.01   0.04   0.02
     9   6     0.00   0.04  -0.07     0.05   0.09   0.09    -0.00   0.02  -0.03
    10   6     0.02  -0.00   0.08    -0.03  -0.13   0.02     0.00  -0.00   0.03
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.03  -0.22  -0.07     0.00  -0.01   0.01     0.09   0.62   0.22
    16   1     0.06   0.30   0.12     0.02   0.00  -0.00    -0.06  -0.60  -0.23
    17   1    -0.02  -0.35  -0.14    -0.02  -0.02  -0.01    -0.00  -0.05  -0.03
    18   1     0.07   0.48   0.17     0.00   0.04   0.02     0.02   0.09   0.04
    19   1    -0.10  -0.11  -0.04     0.01  -0.12  -0.02    -0.06  -0.07  -0.02
    20   1    -0.09  -0.12  -0.03    -0.02   0.09   0.06    -0.06  -0.07  -0.02
    21   1     0.04   0.16   0.08    -0.04   0.14  -0.34     0.03   0.10   0.04
    22   1     0.03  -0.04   0.11    -0.12   0.06   0.56     0.02  -0.02   0.05
    23   1     0.04  -0.11  -0.30    -0.14  -0.11  -0.09     0.02  -0.05  -0.14
    24   1     0.00  -0.06   0.03    -0.07  -0.14  -0.10     0.00  -0.02   0.03
    25   1    -0.02  -0.05  -0.07     0.06   0.18  -0.00    -0.01   0.00  -0.04
    26   1     0.07  -0.31   0.14     0.13   0.11  -0.01     0.05  -0.13   0.06
    27   1    -0.02   0.10  -0.16     0.22  -0.40   0.32    -0.00   0.03  -0.06
    28   1     0.01   0.02   0.00     0.01   0.01   0.00    -0.04  -0.05  -0.02
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.02
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.02   0.03   0.04
    33   1     0.01   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7583              1046.8568              1083.8084
 Red. masses --      1.9263                 2.8537                 2.1334
 Frc consts  --      1.1687                 1.8426                 1.4765
 IR Inten    --      2.3007                 4.2446                52.2738
 RamAct Fr= 1--      8.9214                 0.0514                 2.3162
  Dep-P Fr= 1--      0.2321                 0.2619                 0.6693
  Dep-U Fr= 1--      0.3768                 0.4151                 0.8019
 Alpha2 Fr= 1--      0.1111                 0.0006                 0.0033
 Beta2  Fr= 1--      0.5602                 0.0036                 0.3096
 AlphaG Fr= 1--      0.0254                -0.0021                 0.0045
 Gamma2 Fr= 1--     -0.3790                 0.0252                 0.8373
 Delta2 Fr= 1--     -1.2936                 0.1150                 1.0083
 Raman1 Fr= 1--      35.685                  0.206                  9.265
 ROA1   Fr= 1--     -77.781                  6.099                112.647
 CID1   Fr= 1--      -2.180                 29.644                 12.159
 Raman2 Fr= 1--       6.723                  0.043                  3.715
 ROA2   Fr= 1--       1.253                 -0.315                 12.028
 CID2   Fr= 1--       0.186                 -7.368                  3.238
 Raman3 Fr= 1--      13.445                  0.085                  7.429
 ROA3   Fr= 1--     -77.781                  6.099                112.647
 CID3   Fr= 1--      -5.785                 71.411                 15.162
 RC180  Fr= 1--      -0.246                 -0.170                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06    -0.00  -0.07   0.19     0.01   0.01  -0.03
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.02   0.04
     3   6     0.00   0.01   0.05    -0.05   0.08  -0.19    -0.01   0.01   0.00
     4   6     0.06  -0.02  -0.04     0.04  -0.00   0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02    -0.01  -0.07   0.18     0.02   0.02  -0.05
     6   6    -0.03   0.02  -0.03    -0.06   0.08  -0.19    -0.05   0.02  -0.03
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.00     0.01  -0.01   0.02
     8   6     0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.07
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.02  -0.01   0.04
    10   6    -0.00   0.00  -0.01     0.01   0.00   0.01     0.02  -0.02   0.03
    11   6     0.10   0.15  -0.02    -0.01  -0.02   0.02     0.09   0.03   0.17
    12   6    -0.07  -0.02   0.04     0.00  -0.00  -0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02    -0.00   0.00   0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06     0.32  -0.14   0.31     0.06   0.01  -0.01
    16   1    -0.04  -0.15   0.01     0.20   0.10  -0.37    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01     0.30  -0.15   0.29     0.09  -0.02  -0.04
    18   1    -0.00   0.03  -0.05     0.20   0.12  -0.37    -0.18  -0.01   0.05
    19   1     0.03   0.03   0.00    -0.05  -0.02  -0.00    -0.25  -0.06  -0.02
    20   1    -0.03  -0.03  -0.01    -0.02  -0.00   0.00     0.25   0.07  -0.03
    21   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00   0.07  -0.09
    22   1     0.00  -0.00  -0.01    -0.00   0.00   0.02     0.01   0.00  -0.09
    23   1     0.00  -0.01  -0.02    -0.00  -0.01  -0.01     0.03   0.05   0.11
    24   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.07   0.09
    25   1     0.00   0.02  -0.00    -0.00  -0.02  -0.00     0.00  -0.08   0.01
    26   1    -0.00   0.03  -0.01    -0.00  -0.03   0.01     0.00  -0.10   0.04
    27   1     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.01   0.03  -0.04
    28   1     0.46   0.44   0.11    -0.10  -0.07  -0.01     0.05  -0.30   0.09
    29   6    -0.12  -0.08  -0.02     0.00   0.02  -0.01    -0.06   0.02  -0.12
    30   1    -0.01  -0.04  -0.06     0.00   0.00   0.01     0.08   0.06   0.26
    31   1    -0.21  -0.26  -0.44     0.01  -0.03   0.04    -0.04  -0.25   0.06
    32   1     0.06  -0.06  -0.23     0.03   0.04   0.07     0.13   0.13   0.27
    33   1     0.22   0.16   0.08    -0.03  -0.06  -0.03    -0.18  -0.41  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1094.9762              1103.6130              1110.5701
 Red. masses --      1.5980                 2.0149                 1.4884
 Frc consts  --      1.1288                 1.4459                 1.0816
 IR Inten    --      7.7307                38.3290                 2.1508
 RamAct Fr= 1--      2.9255                 6.9289                 3.1472
  Dep-P Fr= 1--      0.5205                 0.1636                 0.1855
  Dep-U Fr= 1--      0.6847                 0.2811                 0.3129
 Alpha2 Fr= 1--      0.0131                 0.1035                 0.0444
 Beta2  Fr= 1--      0.3338                 0.3247                 0.1641
 AlphaG Fr= 1--     -0.0221                 0.0444                -0.0181
 Gamma2 Fr= 1--      0.6962                -2.6826                 0.6987
 Delta2 Fr= 1--      0.8020                -0.9301                 0.5837
 Raman1 Fr= 1--      11.702                 27.715                 12.589
 ROA1   Fr= 1--      92.499               -287.294                 85.756
 CID1   Fr= 1--       7.905                -10.366                  6.812
 Raman2 Fr= 1--       4.006                  3.896                  1.970
 ROA2   Fr= 1--      10.293                -56.941                 12.100
 CID2   Fr= 1--       2.569                -14.615                  6.143
 Raman3 Fr= 1--       8.012                  7.792                  3.939
 ROA3   Fr= 1--      92.499               -287.294                 85.756
 CID3   Fr= 1--      11.545                -36.870                 21.770
 RC180  Fr= 1--       0.369                 -0.438                 -0.374
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05     0.02  -0.01   0.01     0.01   0.01   0.01
     2   6     0.02  -0.01   0.04     0.02   0.02  -0.03    -0.07  -0.04  -0.01
     3   6    -0.03   0.02  -0.03     0.01   0.02  -0.02     0.02  -0.00   0.01
     4   6    -0.04  -0.04   0.03    -0.05  -0.04  -0.01    -0.01  -0.01   0.00
     5   6     0.02   0.01  -0.01    -0.03   0.01   0.02     0.02   0.01  -0.02
     6   6     0.01   0.01  -0.03     0.02  -0.02   0.03    -0.00   0.01  -0.00
     7   6     0.00  -0.02   0.04    -0.01   0.01  -0.05    -0.02   0.03   0.01
     8   6    -0.03   0.03  -0.10    -0.02  -0.04   0.09     0.13   0.02   0.00
     9   6    -0.02  -0.01   0.05     0.04   0.03  -0.04    -0.07  -0.03  -0.00
    10   6     0.05  -0.01   0.04    -0.02   0.02  -0.03    -0.07  -0.03  -0.01
    11   6    -0.02   0.09  -0.03     0.02   0.12   0.11    -0.01   0.03   0.01
    12   6    -0.02  -0.02   0.01    -0.01   0.06   0.05    -0.00   0.00   0.01
    13   8     0.02  -0.02   0.02     0.02  -0.02   0.03     0.00  -0.01   0.01
    14   8     0.01   0.00   0.01    -0.01  -0.04  -0.07    -0.00  -0.01  -0.01
    15   1     0.08   0.02  -0.03     0.06  -0.01   0.02     0.08  -0.08   0.03
    16   1    -0.11  -0.03   0.00     0.10  -0.02  -0.11     0.07  -0.01  -0.03
    17   1     0.16  -0.07   0.03    -0.10  -0.03  -0.02     0.06  -0.02  -0.01
    18   1    -0.02  -0.00  -0.01     0.02   0.00   0.05     0.04  -0.04  -0.06
    19   1    -0.33  -0.03  -0.02     0.37   0.04   0.02    -0.18  -0.10   0.00
    20   1     0.36   0.08  -0.06    -0.26  -0.03   0.07    -0.25  -0.09  -0.01
    21   1    -0.05  -0.01  -0.16    -0.05  -0.18   0.10     0.27   0.47   0.17
    22   1    -0.01   0.01  -0.06    -0.04   0.02   0.18     0.12  -0.08  -0.29
    23   1     0.01   0.06   0.13    -0.07  -0.08  -0.14     0.15   0.06   0.02
    24   1     0.01   0.06   0.08    -0.03  -0.12  -0.16     0.05   0.13   0.23
    25   1     0.00  -0.16   0.04    -0.01   0.05  -0.00     0.01   0.28  -0.09
    26   1    -0.02  -0.15   0.06    -0.03   0.10  -0.05     0.14   0.10  -0.02
    27   1    -0.05   0.09  -0.09    -0.02   0.01   0.03     0.18  -0.26   0.15
    28   1    -0.17   0.37   0.01    -0.14   0.13   0.08    -0.08   0.08   0.01
    29   6     0.06  -0.08  -0.00     0.05  -0.08  -0.09     0.02  -0.02  -0.01
    30   1    -0.04  -0.04  -0.12     0.03   0.02   0.13    -0.00  -0.01  -0.00
    31   1     0.10   0.30   0.11     0.13   0.26   0.26     0.04   0.10   0.07
    32   1    -0.28  -0.21  -0.23    -0.31  -0.20  -0.08    -0.10  -0.07  -0.04
    33   1    -0.12   0.15   0.02    -0.32  -0.11  -0.15    -0.08   0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.2330              1161.7590              1203.1650
 Red. masses --      1.5544                 2.0634                 2.0141
 Frc consts  --      1.2032                 1.6409                 1.7178
 IR Inten    --     44.6007               147.7013                 2.7706
 RamAct Fr= 1--      0.7469                 1.0883                 7.0060
  Dep-P Fr= 1--      0.0576                 0.6487                 0.2759
  Dep-U Fr= 1--      0.1089                 0.7869                 0.4324
 Alpha2 Fr= 1--      0.0145                 0.0020                 0.0771
 Beta2  Fr= 1--      0.0136                 0.1427                 0.5049
 AlphaG Fr= 1--      0.0254                -0.0078                 0.0081
 Gamma2 Fr= 1--     -0.4795                -1.4343                 0.6495
 Delta2 Fr= 1--     -0.3440                -0.7322                 0.0132
 Raman1 Fr= 1--       2.988                  4.353                 28.024
 ROA1   Fr= 1--     -57.042               -161.119                 62.772
 CID1   Fr= 1--     -19.093                -37.010                  2.240
 Raman2 Fr= 1--       0.163                  1.713                  6.059
 ROA2   Fr= 1--      -8.756                -28.565                 15.482
 CID2   Fr= 1--     -53.831                -16.677                  2.555
 Raman3 Fr= 1--       0.325                  3.426                 12.119
 ROA3   Fr= 1--     -57.042               -161.119                 62.772
 CID3   Fr= 1--    -175.348                -47.031                  5.180
 RC180  Fr= 1--      -0.782                  0.574                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.02    -0.05   0.00   0.02    -0.02  -0.01   0.01
     2   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.07   0.03   0.02
     3   6     0.06  -0.01   0.01     0.05  -0.00  -0.00     0.03  -0.01   0.01
     4   6    -0.05   0.02  -0.03     0.05  -0.02  -0.01     0.03  -0.00  -0.00
     5   6    -0.06  -0.01   0.04    -0.04   0.01  -0.01     0.02   0.00  -0.02
     6   6     0.08  -0.01   0.01     0.03  -0.00  -0.01    -0.02   0.00  -0.01
     7   6     0.00  -0.02   0.05     0.00  -0.01   0.01    -0.00  -0.07  -0.02
     8   6    -0.00   0.02  -0.05    -0.00   0.01  -0.01    -0.08   0.17   0.08
     9   6    -0.02  -0.01   0.02    -0.00  -0.00   0.01     0.07  -0.10  -0.02
    10   6     0.02  -0.01   0.02     0.01  -0.00   0.00     0.07  -0.08  -0.07
    11   6    -0.01  -0.01  -0.01     0.03   0.03   0.12    -0.02   0.00  -0.00
    12   6     0.02   0.08   0.04    -0.02  -0.14  -0.09     0.00   0.01   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.02  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.01
    15   1    -0.39   0.09  -0.10    -0.30   0.06  -0.07     0.05  -0.01   0.05
    16   1     0.35   0.04  -0.20     0.24   0.01  -0.14     0.05  -0.00   0.00
    17   1    -0.34   0.07  -0.05    -0.36   0.07  -0.13     0.02   0.01  -0.03
    18   1     0.46   0.03  -0.26     0.18   0.02  -0.11     0.05   0.03  -0.05
    19   1    -0.15   0.04   0.00    -0.03   0.02   0.00     0.08   0.03  -0.02
    20   1     0.12  -0.03  -0.06     0.04  -0.01  -0.02     0.08   0.01   0.02
    21   1    -0.00   0.05  -0.10    -0.01   0.01  -0.03    -0.03   0.35   0.13
    22   1     0.01  -0.01  -0.05    -0.00   0.00  -0.01    -0.14   0.12  -0.20
    23   1     0.02   0.03   0.06     0.00   0.01   0.02    -0.10   0.11   0.34
    24   1     0.01   0.05   0.07     0.00   0.01   0.01     0.02   0.09  -0.39
    25   1     0.00  -0.06   0.01     0.00  -0.02   0.01     0.10  -0.19   0.34
    26   1    -0.00  -0.07   0.03    -0.00  -0.02   0.01    -0.16   0.29  -0.15
    27   1    -0.01   0.03  -0.03    -0.01   0.01  -0.00    -0.08  -0.05   0.25
    28   1     0.14  -0.18  -0.02    -0.20   0.25   0.13    -0.06   0.00  -0.01
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09     0.01  -0.00   0.01
    30   1     0.05   0.07   0.24    -0.10  -0.13  -0.45     0.00   0.01   0.02
    31   1     0.01   0.04  -0.00     0.02  -0.07   0.14     0.01   0.02   0.00
    32   1    -0.03  -0.04  -0.04     0.02   0.07   0.18    -0.02  -0.01  -0.01
    33   1     0.02   0.05   0.03    -0.17  -0.25  -0.17    -0.01   0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.3323              1223.5745              1236.6323
 Red. masses --      1.3015                 2.0250                 2.4786
 Frc consts  --      1.1289                 1.7862                 2.2332
 IR Inten    --      3.8660                 5.7782                 6.1439
 RamAct Fr= 1--     38.4224                34.8511                27.4550
  Dep-P Fr= 1--      0.0987                 0.1868                 0.1630
  Dep-U Fr= 1--      0.1797                 0.3149                 0.2803
 Alpha2 Fr= 1--      0.6749                 0.4900                 0.4106
 Beta2  Fr= 1--      1.1504                 1.8289                 1.2828
 AlphaG Fr= 1--     -0.2528                -0.0656                -0.1186
 Gamma2 Fr= 1--     -3.7550                -0.9149                 0.5451
 Delta2 Fr= 1--      0.5527                -0.4641                 0.3397
 Raman1 Fr= 1--     153.690                139.404                109.820
 ROA1   Fr= 1--    -342.792               -102.681                 63.205
 CID1   Fr= 1--      -2.230                 -0.737                  0.576
 Raman2 Fr= 1--      13.805                 21.947                 15.393
 ROA2   Fr= 1--     -94.542                -18.245                 10.365
 CID2   Fr= 1--      -6.848                 -0.831                  0.673
 Raman3 Fr= 1--      27.611                 43.893                 30.786
 ROA3   Fr= 1--    -342.792               -102.681                 63.205
 CID3   Fr= 1--     -12.415                 -2.339                  2.053
 RC180  Fr= 1--      -0.641                 -0.370                 -0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10   0.00   0.04     0.03  -0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.03
     3   6     0.01   0.01  -0.03     0.08  -0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.11   0.01   0.00     0.21  -0.03  -0.01     0.06  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.04   0.00  -0.03
     7   6    -0.02  -0.00   0.00     0.03   0.01  -0.01    -0.12   0.01   0.01
     8   6     0.00   0.02   0.01     0.00  -0.03  -0.01     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.05   0.00   0.00    -0.09  -0.00  -0.01     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.02   0.02    -0.01   0.00   0.01
    13   8    -0.00   0.01  -0.01     0.01  -0.01   0.02     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.00  -0.03    -0.00   0.00  -0.01
    15   1    -0.34   0.10  -0.17    -0.51   0.10  -0.11    -0.29   0.09  -0.13
    16   1     0.38   0.06  -0.30     0.24   0.02  -0.13    -0.31  -0.00   0.11
    17   1     0.52  -0.15   0.23     0.07   0.00  -0.03    -0.38   0.07  -0.06
    18   1    -0.29  -0.06   0.26    -0.42  -0.03   0.22    -0.24  -0.04   0.20
    19   1    -0.04   0.01  -0.00     0.04   0.00  -0.00    -0.42  -0.14  -0.02
    20   1    -0.05  -0.01   0.01     0.07   0.03   0.01    -0.28  -0.04   0.04
    21   1     0.00   0.03   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.08
    22   1    -0.01   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.02  -0.11
    23   1     0.00   0.01   0.03    -0.00  -0.02  -0.05     0.01   0.02   0.06
    24   1     0.00   0.02  -0.02    -0.01  -0.03   0.03     0.01   0.04  -0.08
    25   1     0.01  -0.01   0.03    -0.01   0.02  -0.04     0.02   0.05   0.07
    26   1    -0.00   0.03  -0.01     0.01  -0.03   0.02     0.01   0.09  -0.04
    27   1     0.00  -0.02   0.03     0.01   0.01  -0.03     0.02  -0.09   0.11
    28   1     0.24  -0.03   0.03    -0.48   0.05  -0.07    -0.18   0.03  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.02  -0.07     0.03   0.05   0.17     0.02   0.03   0.09
    31   1    -0.00  -0.03   0.02     0.01   0.05  -0.02    -0.02  -0.02  -0.04
    32   1     0.03   0.03   0.04    -0.07  -0.05  -0.06     0.01  -0.00  -0.03
    33   1     0.01  -0.04  -0.02    -0.01   0.09   0.05     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.6636              1280.6688              1309.6786
 Red. masses --      1.3864                 1.7431                 1.5941
 Frc consts  --      1.2654                 1.6844                 1.6110
 IR Inten    --      0.5742                 2.8847                 4.7985
 RamAct Fr= 1--      6.1401                 4.3857                 6.4365
  Dep-P Fr= 1--      0.7455                 0.6216                 0.4749
  Dep-U Fr= 1--      0.8542                 0.7667                 0.6440
 Alpha2 Fr= 1--      0.0005                 0.0103                 0.0356
 Beta2  Fr= 1--      0.8741                 0.5604                 0.6908
 AlphaG Fr= 1--      0.0101                 0.0041                -0.0475
 Gamma2 Fr= 1--      0.5950                 0.1945                -1.7468
 Delta2 Fr= 1--     -0.0720                -0.5988                 1.4576
 Raman1 Fr= 1--      24.561                 17.543                 25.746
 ROA1   Fr= 1--      54.815                 -0.488               -121.055
 CID1   Fr= 1--       2.232                 -0.028                 -4.702
 Raman2 Fr= 1--      10.490                  6.725                  8.290
 ROA2   Fr= 1--      14.855                  9.459                -53.585
 CID2   Fr= 1--       1.416                  1.407                 -6.464
 Raman3 Fr= 1--      20.979                 13.450                 16.580
 ROA3   Fr= 1--      54.815                 -0.488               -121.055
 CID3   Fr= 1--       2.613                 -0.036                 -7.301
 RC180  Fr= 1--       0.708                  0.533                  0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.04     0.02  -0.01   0.03     0.03  -0.01   0.02
     2   6    -0.02  -0.02   0.08     0.01   0.00  -0.02    -0.00   0.00  -0.03
     3   6     0.02   0.00  -0.02    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.02  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.08
     5   6    -0.02   0.01  -0.02     0.03  -0.02   0.04     0.02  -0.01   0.02
     6   6     0.02   0.01  -0.03    -0.04   0.00   0.01    -0.03  -0.00   0.02
     7   6     0.00   0.02  -0.04    -0.00   0.00   0.00     0.02   0.01   0.01
     8   6     0.01  -0.04   0.09    -0.00  -0.00   0.01    -0.02  -0.02  -0.00
     9   6     0.05   0.02  -0.03     0.01   0.00  -0.00     0.01   0.00  -0.00
    10   6    -0.05   0.01  -0.02    -0.01   0.00  -0.00     0.00   0.01   0.00
    11   6     0.03  -0.00  -0.01    -0.14   0.06   0.04    -0.07  -0.06   0.00
    12   6    -0.01  -0.00   0.00     0.05   0.05   0.02     0.00  -0.10  -0.06
    13   8     0.00  -0.00   0.00    -0.02   0.01  -0.04     0.02   0.00   0.05
    14   8     0.00   0.00  -0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1    -0.07   0.02  -0.05    -0.22   0.05  -0.05    -0.13   0.02  -0.04
    16   1     0.03   0.01  -0.02    -0.23  -0.04   0.19    -0.12  -0.02   0.10
    17   1     0.07  -0.01   0.01     0.10  -0.04   0.06     0.11  -0.03   0.06
    18   1     0.16   0.03  -0.13     0.04   0.01  -0.05     0.08   0.00  -0.06
    19   1    -0.38  -0.31  -0.05    -0.16  -0.07  -0.01    -0.15  -0.07  -0.01
    20   1     0.46   0.31   0.08     0.10   0.05   0.01    -0.01  -0.02  -0.02
    21   1     0.05  -0.17   0.44     0.01  -0.04   0.11     0.02   0.06   0.09
    22   1    -0.02   0.02   0.11    -0.01   0.01   0.02    -0.01   0.01   0.03
    23   1    -0.06  -0.05  -0.08    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
    24   1    -0.02  -0.11  -0.16    -0.00  -0.02  -0.03    -0.00  -0.02  -0.04
    25   1    -0.01   0.18  -0.06    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
    26   1     0.04   0.08  -0.03     0.01   0.01  -0.00    -0.02  -0.02   0.00
    27   1     0.03  -0.07   0.05     0.01  -0.02   0.01    -0.01   0.01  -0.00
    28   1    -0.00   0.02  -0.01     0.51  -0.39   0.05     0.31   0.49   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.01   0.01   0.02    -0.10  -0.16  -0.43     0.10   0.21   0.57
    31   1    -0.02  -0.02  -0.02     0.06   0.11   0.06     0.07   0.02   0.15
    32   1     0.03   0.01  -0.01    -0.14  -0.07   0.01    -0.02   0.05   0.15
    33   1     0.03   0.00   0.01    -0.15   0.02  -0.03    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1309.8917              1349.7126              1366.3219
 Red. masses --      1.5336                 2.2388                 1.4489
 Frc consts  --      1.5504                 2.4029                 1.5937
 IR Inten    --      8.2508                 0.1937                 0.1345
 RamAct Fr= 1--     22.7273                 1.9243                 1.2577
  Dep-P Fr= 1--      0.2782                 0.6750                 0.5362
  Dep-U Fr= 1--      0.4354                 0.8060                 0.6981
 Alpha2 Fr= 1--      0.2485                 0.0026                 0.0052
 Beta2  Fr= 1--      1.6491                 0.2585                 0.1463
 AlphaG Fr= 1--     -0.1099                 0.0197                 0.0069
 Gamma2 Fr= 1--     -1.2899                 5.2166                 0.2212
 Delta2 Fr= 1--     -0.7579                 3.1018                 0.1976
 Raman1 Fr= 1--      90.909                  7.697                  5.031
 ROA1   Fr= 1--    -148.084                600.049                 27.563
 CID1   Fr= 1--      -1.629                 77.957                  5.479
 Raman2 Fr= 1--      19.789                  3.102                  1.756
 ROA2   Fr= 1--     -24.895                100.384                  3.729
 CID2   Fr= 1--      -1.258                 32.363                  2.124
 Raman3 Fr= 1--      39.578                  6.204                  3.512
 ROA3   Fr= 1--    -148.084                600.049                 27.563
 CID3   Fr= 1--      -3.742                 96.726                  7.849
 RC180  Fr= 1--      -0.129                  0.612                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.01    -0.09   0.02  -0.03    -0.08   0.02  -0.02
     2   6    -0.01  -0.03  -0.01     0.02  -0.07   0.17    -0.00   0.01  -0.02
     3   6     0.00   0.00  -0.00     0.11   0.01  -0.08     0.02  -0.00  -0.01
     4   6    -0.01  -0.01   0.02     0.03  -0.03   0.07     0.03  -0.04   0.10
     5   6    -0.00   0.00  -0.00    -0.12   0.03  -0.05    -0.01  -0.00   0.00
     6   6     0.01   0.01  -0.00     0.07   0.01  -0.06     0.07   0.01  -0.05
     7   6     0.10   0.08   0.02    -0.00   0.01  -0.04     0.00  -0.01   0.02
     8   6    -0.10  -0.09  -0.02     0.01  -0.03   0.07    -0.01   0.02  -0.05
     9   6     0.05   0.03   0.00    -0.03   0.01  -0.00     0.02  -0.01   0.01
    10   6     0.06   0.03   0.00     0.03  -0.00  -0.02    -0.01   0.00   0.01
    11   6     0.02   0.01  -0.00    -0.06  -0.02  -0.01    -0.08  -0.02  -0.02
    12   6    -0.00   0.02   0.01     0.01   0.00   0.00     0.01   0.02   0.01
    13   8    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.02  -0.03  -0.01    -0.15   0.03  -0.05     0.37  -0.10   0.15
    16   1     0.03   0.00  -0.03    -0.30  -0.04   0.22     0.23   0.03  -0.15
    17   1    -0.02   0.00  -0.01     0.30  -0.08   0.11    -0.29   0.08  -0.09
    18   1    -0.03  -0.03   0.01     0.11   0.02  -0.09    -0.36  -0.05   0.26
    19   1    -0.40  -0.26  -0.01     0.25   0.02   0.01    -0.02   0.04   0.00
    20   1    -0.43  -0.24  -0.09    -0.24  -0.04   0.05     0.01  -0.03  -0.02
    21   1     0.07   0.51   0.17    -0.06   0.19  -0.49     0.03  -0.10   0.25
    22   1    -0.05   0.06   0.12     0.06  -0.05  -0.05    -0.04   0.03   0.01
    23   1    -0.14  -0.06  -0.03     0.05  -0.02  -0.08    -0.03   0.01   0.05
    24   1    -0.02  -0.12  -0.13    -0.02  -0.01   0.06     0.01   0.01  -0.02
    25   1    -0.01  -0.18   0.02     0.03  -0.03   0.05    -0.02   0.01  -0.02
    26   1    -0.14  -0.08   0.00    -0.06   0.06  -0.04     0.04  -0.04   0.02
    27   1    -0.07   0.12  -0.04    -0.07   0.06   0.01     0.04  -0.03  -0.02
    28   1    -0.05  -0.07  -0.03     0.35   0.09   0.09     0.52   0.12   0.12
    29   6    -0.01  -0.00   0.01     0.02   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.02  -0.03  -0.09    -0.00   0.00   0.02    -0.01  -0.01  -0.02
    31   1    -0.01  -0.01  -0.03     0.02   0.01   0.02     0.04   0.02   0.07
    32   1     0.01  -0.01  -0.02    -0.03   0.01   0.04    -0.03   0.02   0.09
    33   1     0.02   0.01   0.02    -0.07  -0.02  -0.03    -0.06  -0.00  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3912              1388.1135              1392.4912
 Red. masses --      1.3962                 1.3599                 1.9815
 Frc consts  --      1.5562                 1.5439                 2.2638
 IR Inten    --      0.5239                10.5525                39.1550
 RamAct Fr= 1--      1.6882                 9.6603                 5.1018
  Dep-P Fr= 1--      0.7358                 0.3961                 0.7235
  Dep-U Fr= 1--      0.8478                 0.5675                 0.8395
 Alpha2 Fr= 1--      0.0004                 0.0725                 0.0023
 Beta2  Fr= 1--      0.2385                 0.9137                 0.7139
 AlphaG Fr= 1--     -0.0085                -0.0180                -0.0118
 Gamma2 Fr= 1--      0.1417                -0.7701                 2.1679
 Delta2 Fr= 1--     -0.1452                -0.0152                -1.1157
 Raman1 Fr= 1--       6.753                 38.641                 20.407
 ROA1   Fr= 1--       8.961                -74.413                172.419
 CID1   Fr= 1--       1.327                 -1.926                  8.449
 Raman2 Fr= 1--       2.862                 10.964                  8.566
 ROA2   Fr= 1--       4.564                -18.360                 60.955
 CID2   Fr= 1--       1.594                 -1.675                  7.116
 Raman3 Fr= 1--       5.725                 21.928                 17.133
 ROA3   Fr= 1--       8.961                -74.413                172.419
 CID3   Fr= 1--       1.565                 -3.394                 10.064
 RC180  Fr= 1--       0.696                  0.135                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.02  -0.01   0.01     0.03  -0.01   0.01
     2   6     0.01  -0.02   0.05     0.04   0.01  -0.00    -0.01  -0.00   0.00
     3   6     0.04   0.00  -0.03    -0.01   0.00  -0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.02  -0.01
     5   6    -0.05   0.01  -0.02    -0.01  -0.00   0.01     0.02  -0.00  -0.01
     6   6     0.01  -0.00   0.00     0.01   0.00  -0.01    -0.04  -0.00   0.02
     7   6     0.00  -0.00   0.01    -0.12  -0.03   0.00     0.02   0.01  -0.00
     8   6    -0.02   0.05  -0.14    -0.00  -0.10  -0.04     0.00   0.02   0.01
     9   6     0.04  -0.03  -0.00     0.02   0.01  -0.02    -0.00  -0.00   0.00
    10   6    -0.03   0.02   0.03     0.03  -0.01   0.02    -0.01   0.00  -0.01
    11   6     0.01   0.00   0.01     0.00  -0.02  -0.00     0.02  -0.17  -0.03
    12   6    -0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.03   0.18   0.11
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.03
    14   8     0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.06  -0.01
    15   1    -0.14   0.04  -0.04    -0.06   0.02  -0.02    -0.11   0.03  -0.04
    16   1    -0.19  -0.02   0.14    -0.05   0.00   0.02    -0.01   0.01   0.00
    17   1     0.22  -0.06   0.08    -0.05   0.01  -0.00     0.02   0.02   0.00
    18   1     0.14   0.01  -0.09    -0.04   0.00   0.03     0.09   0.01  -0.08
    19   1     0.25   0.16   0.02     0.28   0.31   0.02    -0.03  -0.05  -0.00
    20   1    -0.25  -0.15  -0.03     0.30   0.27   0.13    -0.06  -0.04  -0.02
    21   1     0.08  -0.23   0.62     0.21   0.63   0.21    -0.03  -0.10  -0.04
    22   1    -0.13   0.07   0.12    -0.02  -0.02   0.16     0.00  -0.00  -0.02
    23   1    -0.07   0.07   0.18    -0.08   0.05   0.09     0.01  -0.00  -0.01
    24   1     0.06   0.07   0.02     0.03  -0.07   0.09    -0.00   0.01  -0.01
    25   1    -0.06  -0.07  -0.02     0.00   0.01  -0.11    -0.00  -0.02   0.03
    26   1     0.10  -0.17   0.07    -0.09   0.09  -0.02     0.02  -0.03   0.01
    27   1     0.15  -0.12   0.01    -0.05   0.09  -0.12     0.02  -0.03   0.04
    28   1    -0.09  -0.02  -0.02    -0.00   0.08   0.02    -0.06   0.73   0.18
    29   6    -0.00   0.00   0.01     0.00   0.01  -0.00     0.01   0.06  -0.02
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05    -0.08  -0.16  -0.40
    31   1    -0.01  -0.01  -0.03     0.00  -0.02   0.01     0.03  -0.17   0.10
    32   1     0.00  -0.01  -0.03    -0.00   0.00  -0.00    -0.06   0.03   0.01
    33   1    -0.00  -0.01   0.00     0.00  -0.03  -0.01     0.02  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.4429              1416.1171              1425.0873
 Red. masses --      1.2778                 1.2210                 1.2483
 Frc consts  --      1.4871                 1.4426                 1.4937
 IR Inten    --      8.5200                10.7377                 8.3353
 RamAct Fr= 1--      0.0164                 0.8352                 3.1527
  Dep-P Fr= 1--      0.7364                 0.6514                 0.5942
  Dep-U Fr= 1--      0.8482                 0.7889                 0.7455
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0091
 Beta2  Fr= 1--      0.0023                 0.1098                 0.3917
 AlphaG Fr= 1--      0.0001                -0.0005                -0.0040
 Gamma2 Fr= 1--      0.0216                 0.0090                 0.0471
 Delta2 Fr= 1--      0.0106                 0.0791                 0.0662
 Raman1 Fr= 1--       0.066                  3.341                 12.611
 ROA1   Fr= 1--       2.410                  3.392                  6.644
 CID1   Fr= 1--      36.736                  1.015                  0.527
 Raman2 Fr= 1--       0.028                  1.318                  4.700
 ROA2   Fr= 1--       0.433                 -0.417                  0.601
 CID2   Fr= 1--      15.548                 -0.316                  0.128
 Raman3 Fr= 1--       0.056                  2.636                  9.401
 ROA3   Fr= 1--       2.410                  3.392                  6.644
 CID3   Fr= 1--      43.309                  1.287                  0.707
 RC180  Fr= 1--       0.696                  0.578                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01  -0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.00  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.02  -0.00   0.00    -0.05   0.01  -0.02     0.01  -0.01   0.00
    16   1     0.03   0.01  -0.03    -0.04  -0.01   0.01     0.01   0.00  -0.00
    17   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    18   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    19   1    -0.05  -0.05  -0.01     0.02   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.02  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.02   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1    -0.09  -0.08   0.38    -0.00   0.00  -0.01    -0.16  -0.03   0.36
    23   1    -0.06   0.23   0.29     0.00  -0.01  -0.01    -0.06   0.22   0.30
    24   1     0.12   0.02   0.40    -0.00   0.00  -0.01     0.15   0.10   0.37
    25   1    -0.04  -0.28   0.30    -0.00   0.00  -0.01     0.08   0.33  -0.23
    26   1     0.10  -0.36   0.04    -0.00   0.01  -0.00    -0.10   0.36  -0.06
    27   1     0.17  -0.18   0.30    -0.00   0.00  -0.01    -0.23   0.20  -0.24
    28   1     0.03  -0.01   0.00    -0.02   0.05   0.01    -0.00   0.01   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00  -0.00
    30   1     0.00   0.00   0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    31   1     0.00   0.02   0.01     0.06   0.38   0.37     0.00  -0.00   0.00
    32   1     0.01   0.00   0.02     0.37   0.16   0.44    -0.00  -0.00   0.00
    33   1     0.01   0.02   0.00     0.31   0.47   0.12     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.8896              1489.3062              1489.9087
 Red. masses --      2.4729                 1.0407                 1.0977
 Frc consts  --      3.1095                 1.3600                 1.4357
 IR Inten    --      9.1165                 2.6528                 3.3687
 RamAct Fr= 1--      0.3274                11.1935                15.3369
  Dep-P Fr= 1--      0.5728                 0.7500                 0.7332
  Dep-U Fr= 1--      0.7284                 0.8571                 0.8461
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0044
 Beta2  Fr= 1--      0.0397                 1.5990                 2.1627
 AlphaG Fr= 1--      0.0172                -0.0008                -0.0050
 Gamma2 Fr= 1--     -1.0493                 0.0322                -0.3742
 Delta2 Fr= 1--     -0.1477                -0.1302                 0.2474
 Raman1 Fr= 1--       1.310                 44.774                 61.347
 ROA1   Fr= 1--    -105.461                 -1.079                -28.011
 CID1   Fr= 1--     -80.535                 -0.024                 -0.457
 Raman2 Fr= 1--       0.477                 19.188                 25.953
 ROA2   Fr= 1--     -24.002                  1.813                -10.960
 CID2   Fr= 1--     -50.326                  0.094                 -0.422
 Raman3 Fr= 1--       0.954                 38.377                 51.905
 ROA3   Fr= 1--    -105.461                 -1.079                -28.011
 CID3   Fr= 1--    -110.561                 -0.028                 -0.540
 RC180  Fr= 1--       0.457                  0.714                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     3   6    -0.14   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14  -0.00  -0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.14   0.02  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00   0.00     0.06  -0.05  -0.03
     8   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01     0.04   0.01  -0.00    -0.01   0.01   0.01
    11   6    -0.04   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.02  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.29   0.12  -0.22     0.01   0.00   0.01     0.02  -0.00   0.01
    16   1     0.24   0.08  -0.30    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.32   0.13  -0.23     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.22   0.08  -0.29    -0.01  -0.01   0.01     0.02   0.00  -0.01
    19   1     0.21   0.04   0.01    -0.00   0.00  -0.00    -0.34   0.50  -0.20
    20   1    -0.21  -0.05   0.03    -0.00   0.00  -0.00    -0.25   0.22   0.54
    21   1     0.00  -0.01   0.03     0.01  -0.03   0.06    -0.02  -0.04  -0.01
    22   1    -0.04   0.03   0.00     0.17  -0.23   0.25     0.16  -0.13   0.03
    23   1     0.03  -0.02  -0.03     0.46   0.19   0.04     0.09   0.08   0.06
    24   1     0.01   0.07  -0.02    -0.06   0.14  -0.28    -0.06  -0.11  -0.09
    25   1    -0.02  -0.04  -0.06    -0.01   0.09  -0.31    -0.05  -0.15   0.01
    26   1    -0.04   0.03  -0.00    -0.46  -0.20  -0.01     0.08   0.11  -0.01
    27   1     0.04  -0.02  -0.03    -0.10  -0.01   0.37     0.14  -0.07  -0.14
    28   1     0.35  -0.08   0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.01   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.09   0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1871              1497.8501              1498.8889
 Red. masses --      1.0465                 1.0562                 1.0551
 Frc consts  --      1.3729                 1.3962                 1.3967
 IR Inten    --      4.7295                 0.2316                 8.4952
 RamAct Fr= 1--      6.9730                 0.9400                 5.4507
  Dep-P Fr= 1--      0.6312                 0.7468                 0.6713
  Dep-U Fr= 1--      0.7739                 0.8550                 0.8033
 Alpha2 Fr= 1--      0.0150                 0.0001                 0.0076
 Beta2  Fr= 1--      0.8994                 0.1339                 0.7298
 AlphaG Fr= 1--      0.0179                -0.0015                 0.0620
 Gamma2 Fr= 1--     -0.8979                 0.9280                -0.1770
 Delta2 Fr= 1--     -1.3271                 0.6124                 0.8293
 Raman1 Fr= 1--      27.892                  3.760                 21.803
 ROA1   Fr= 1--    -128.671                108.685                  9.550
 CID1   Fr= 1--      -4.613                 28.907                  0.438
 Raman2 Fr= 1--      10.793                  1.607                  8.757
 ROA2   Fr= 1--     -10.934                 17.373                -10.882
 CID2   Fr= 1--      -1.013                 10.808                 -1.243
 Raman3 Fr= 1--      21.586                  3.215                 17.515
 ROA3   Fr= 1--    -128.671                108.685                  9.550
 CID3   Fr= 1--      -5.961                 33.808                  0.545
 RC180  Fr= 1--       0.548                  0.710                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.01   0.03    -0.00   0.00  -0.01
     9   6    -0.00   0.00  -0.00     0.00  -0.04   0.00    -0.00   0.01  -0.00
    10   6     0.00   0.00   0.00     0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00   0.00    -0.01   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.00     0.02  -0.00   0.01    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.01
    19   1    -0.00   0.00   0.00    -0.04  -0.03  -0.00     0.01   0.01  -0.00
    20   1    -0.00   0.00   0.00     0.04   0.03   0.00    -0.02  -0.00   0.01
    21   1     0.00   0.00   0.00    -0.01   0.03  -0.07     0.00  -0.00   0.01
    22   1     0.01  -0.00   0.00    -0.34   0.21   0.09     0.06  -0.04  -0.01
    23   1     0.00   0.00   0.00     0.14  -0.12  -0.21    -0.02   0.02   0.03
    24   1    -0.00  -0.00  -0.00     0.13   0.46   0.00    -0.02  -0.07  -0.00
    25   1    -0.00  -0.00  -0.00    -0.16  -0.36  -0.28     0.03   0.06   0.05
    26   1    -0.00   0.00  -0.00    -0.17   0.22  -0.04     0.03  -0.04   0.01
    27   1     0.00  -0.00  -0.00     0.34  -0.19  -0.14    -0.05   0.03   0.02
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.00  -0.03    -0.00   0.01  -0.00    -0.02   0.03  -0.02
    30   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.02  -0.47  -0.10     0.01  -0.06   0.09     0.08  -0.33   0.56
    32   1    -0.47  -0.07   0.52    -0.05  -0.02  -0.03    -0.32  -0.11  -0.20
    33   1    -0.16   0.49   0.07     0.10  -0.02   0.01     0.61  -0.12   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.7614              1512.7155              1551.9124
 Red. masses --      1.0507                 1.0555                 2.4269
 Frc consts  --      1.4092                 1.4231                 3.4438
 IR Inten    --     11.7928                10.7917                22.8198
 RamAct Fr= 1--      1.9643                 4.3829                 0.3452
  Dep-P Fr= 1--      0.3750                 0.6724                 0.6954
  Dep-U Fr= 1--      0.5454                 0.8041                 0.8204
 Alpha2 Fr= 1--      0.0159                 0.0060                 0.0003
 Beta2  Fr= 1--      0.1786                 0.5874                 0.0472
 AlphaG Fr= 1--      0.0054                -0.0018                 0.0008
 Gamma2 Fr= 1--      0.0820                -0.2491                 0.2358
 Delta2 Fr= 1--      0.0733                 0.0419                 0.1968
 Raman1 Fr= 1--       7.857                 17.532                  1.381
 ROA1   Fr= 1--      10.220                -22.576                 28.934
 CID1   Fr= 1--       1.301                 -1.288                 20.954
 Raman2 Fr= 1--       2.143                  7.049                  0.566
 ROA2   Fr= 1--       1.383                 -6.315                  4.085
 CID2   Fr= 1--       0.645                 -0.896                  7.212
 Raman3 Fr= 1--       4.286                 14.098                  1.133
 ROA3   Fr= 1--      10.220                -22.576                 28.934
 CID3   Fr= 1--       2.385                 -1.601                 25.542
 RC180  Fr= 1--       0.091                  0.608                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.00   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.00  -0.01     0.44  -0.09   0.10
    16   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.42   0.03  -0.25
    17   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.42  -0.09   0.10
    18   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.22
    19   1    -0.12   0.23  -0.08    -0.03   0.07  -0.02    -0.04   0.03  -0.00
    20   1    -0.08   0.11   0.23    -0.02   0.03   0.07    -0.04   0.01   0.03
    21   1     0.02  -0.05  -0.02     0.02   0.07   0.03     0.01   0.05   0.02
    22   1    -0.29   0.29  -0.18    -0.19   0.06   0.22    -0.02   0.02   0.01
    23   1    -0.29  -0.23  -0.15     0.36  -0.02  -0.18    -0.00  -0.01  -0.02
    24   1     0.10   0.12   0.22     0.06   0.45  -0.18     0.01   0.02   0.00
    25   1     0.06   0.23  -0.10     0.13   0.23   0.41     0.01   0.02   0.01
    26   1    -0.27  -0.29   0.02     0.38  -0.10   0.04    -0.00  -0.02   0.00
    27   1    -0.22   0.07   0.38    -0.23   0.18  -0.08    -0.02   0.01   0.01
    28   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.02   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.05   0.01  -0.04
    33   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.04  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.5510              1658.1575              1805.9216
 Red. masses --      5.9930                 5.7764                 9.5445
 Frc consts  --      9.2387                 9.3574                18.3401
 IR Inten    --      0.1196                 0.8116               271.8030
 RamAct Fr= 1--      2.2183               106.6018                13.5734
  Dep-P Fr= 1--      0.7178                 0.4840                 0.1661
  Dep-U Fr= 1--      0.8357                 0.6523                 0.2848
 Alpha2 Fr= 1--      0.0012                 0.5662                 0.2014
 Beta2  Fr= 1--      0.3090                11.5889                 0.6443
 AlphaG Fr= 1--     -0.0285                -0.3679                -0.4541
 Gamma2 Fr= 1--      0.2016                -3.9927                -1.7711
 Delta2 Fr= 1--     -0.1322                -0.0464                 0.8447
 Raman1 Fr= 1--       8.873                426.407                 54.294
 ROA1   Fr= 1--      15.122               -384.789               -142.998
 CID1   Fr= 1--       1.704                 -0.902                 -2.634
 Raman2 Fr= 1--       3.708                139.067                  7.732
 ROA2   Fr= 1--       5.896                -95.454                -49.265
 CID2   Fr= 1--       1.590                 -0.686                 -6.372
 Raman3 Fr= 1--       7.415                278.135                 15.463
 ROA3   Fr= 1--      15.122               -384.789               -142.998
 CID3   Fr= 1--       2.039                 -1.383                 -9.247
 RC180  Fr= 1--       0.671                  0.305                 -0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.08   0.17     0.30  -0.05   0.03    -0.01   0.00  -0.00
     2   6    -0.03   0.12  -0.32    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.07   0.06  -0.20    -0.27  -0.00   0.11     0.01  -0.00   0.00
     4   6     0.05  -0.12   0.32     0.19  -0.02  -0.02    -0.02   0.00  -0.00
     5   6    -0.12   0.08  -0.18    -0.28   0.05  -0.03     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.27   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.33   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.18  -0.38
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.29   0.03   0.04    -0.31   0.11  -0.19     0.02  -0.00   0.00
    16   1    -0.30   0.02   0.05     0.26   0.07  -0.29     0.02  -0.02  -0.01
    17   1     0.31  -0.03  -0.04     0.29  -0.11   0.17    -0.02   0.01  -0.01
    18   1     0.31  -0.02  -0.06    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.21  -0.02  -0.01     0.02   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01     0.00   0.00   0.00
    22   1    -0.02   0.01  -0.00     0.01  -0.00  -0.01     0.00  -0.00   0.00
    23   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    24   1     0.01   0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    27   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    28   1     0.28  -0.05   0.01    -0.02   0.01   0.00    -0.10   0.21   0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.01     0.10   0.16   0.43
    31   1     0.00  -0.02   0.02     0.00   0.02   0.02     0.02  -0.04   0.01
    32   1    -0.02  -0.00  -0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00  -0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7917              3025.9174              3027.4211
 Red. masses --      1.0816                 1.0346                 1.0481
 Frc consts  --      5.7461                 5.5812                 5.6600
 IR Inten    --     21.6556                34.6655                41.7976
 RamAct Fr= 1--    140.4542                13.8576                55.8986
  Dep-P Fr= 1--      0.4613                 0.6771                 0.5341
  Dep-U Fr= 1--      0.6314                 0.8075                 0.6963
 Alpha2 Fr= 1--      0.8221                 0.0178                 0.2330
 Beta2  Fr= 1--     14.7801                 1.8649                 6.4874
 AlphaG Fr= 1--      0.0042                -0.0045                -0.0885
 Gamma2 Fr= 1--      0.2568                -1.3531                 2.4607
 Delta2 Fr= 1--     -1.2104                 0.9784                -0.2837
 Raman1 Fr= 1--     561.817                 55.430                223.594
 ROA1   Fr= 1--     -14.083                -98.584                227.151
 CID1   Fr= 1--      -0.025                 -1.779                  1.016
 Raman2 Fr= 1--     177.361                 22.379                 77.848
 ROA2   Fr= 1--      15.846                -40.300                 61.327
 CID2   Fr= 1--       0.089                 -1.801                  0.788
 Raman3 Fr= 1--     354.722                 44.758                155.697
 ROA3   Fr= 1--     -14.083                -98.584                227.151
 CID3   Fr= 1--      -0.040                 -2.203                  1.459
 RC180  Fr= 1--       0.263                  0.615                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.02    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00   0.00   0.04    -0.00  -0.00  -0.02
    10   6     0.01   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.02   0.02
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.03   0.03   0.18     0.01  -0.01  -0.03    -0.09   0.09   0.47
    20   1    -0.07   0.14  -0.10     0.02  -0.04   0.03    -0.17   0.37  -0.27
    21   1     0.91  -0.20  -0.19     0.01  -0.00  -0.00    -0.15   0.03   0.03
    22   1    -0.03  -0.04  -0.01    -0.26  -0.34  -0.09     0.14   0.18   0.05
    23   1    -0.01   0.04  -0.03    -0.14   0.38  -0.26     0.08  -0.22   0.15
    24   1    -0.08   0.02   0.02     0.39  -0.10  -0.09    -0.18   0.05   0.04
    25   1    -0.08   0.02   0.01    -0.33   0.09   0.07    -0.26   0.07   0.05
    26   1    -0.00   0.01   0.05     0.04  -0.09  -0.38     0.04  -0.08  -0.37
    27   1    -0.03  -0.04  -0.02     0.21   0.28   0.09     0.19   0.25   0.08
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9260              3047.3602              3063.7286
 Red. masses --      1.0480                 1.0356                 1.1040
 Frc consts  --      5.6801                 5.6660                 6.1052
 IR Inten    --     18.8853                25.6057                18.0449
 RamAct Fr= 1--    527.8408               216.8236                55.1117
  Dep-P Fr= 1--      0.0102                 0.0595                 0.7500
  Dep-U Fr= 1--      0.0203                 0.1124                 0.8571
 Alpha2 Fr= 1--     11.4525                 4.1865                 0.0000
 Beta2  Fr= 1--      1.7828                 4.0616                 7.8730
 AlphaG Fr= 1--      0.2233                -0.2293                 0.0042
 Gamma2 Fr= 1--      0.2206                 0.9829                 0.6949
 Delta2 Fr= 1--     -0.3023                 3.5408                 1.2593
 Raman1 Fr= 1--    2111.363                867.294                220.447
 ROA1   Fr= 1--      11.504                207.662                107.006
 CID1   Fr= 1--       0.005                  0.239                  0.485
 Raman2 Fr= 1--      21.394                 48.739                 94.476
 ROA2   Fr= 1--       7.713                 -4.737                  6.603
 CID2   Fr= 1--       0.361                 -0.097                  0.070
 Raman3 Fr= 1--      42.788                 97.478                188.953
 ROA3   Fr= 1--      11.504                207.662                107.006
 CID3   Fr= 1--       0.269                  2.130                  0.566
 RC180  Fr= 1--      -0.959                 -0.775                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    19   1    -0.08   0.08   0.45    -0.00   0.00   0.00    -0.13   0.14   0.68
    20   1    -0.17   0.36  -0.26    -0.00   0.00  -0.00     0.25  -0.54   0.37
    21   1    -0.18   0.04   0.04    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.16  -0.20  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    23   1    -0.08   0.23  -0.16    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    24   1     0.28  -0.07  -0.07     0.00  -0.00  -0.00    -0.03   0.01   0.01
    25   1     0.30  -0.08  -0.06     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    26   1    -0.03   0.07   0.31    -0.00   0.00   0.00     0.00  -0.01  -0.05
    27   1    -0.17  -0.22  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.01   0.00   0.00     0.66  -0.05  -0.14     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.19   0.54  -0.09    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.07  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4542              3085.7601              3088.3106
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0212                 6.1823                 6.1860
 IR Inten    --      6.7738                15.1656                50.6078
 RamAct Fr= 1--     67.4331                39.2488               135.9407
  Dep-P Fr= 1--      0.2018                 0.7490                 0.6949
  Dep-U Fr= 1--      0.3358                 0.8565                 0.8200
 Alpha2 Fr= 1--      0.9115                 0.0006                 0.1310
 Beta2  Fr= 1--      3.7737                 5.6029                18.5782
 AlphaG Fr= 1--      0.0200                 0.0548                -0.1075
 Gamma2 Fr= 1--     -1.1697                -0.3892                -3.9407
 Delta2 Fr= 1--     -3.4229                 1.0099                -4.6216
 Raman1 Fr= 1--     269.732                156.995                543.763
 ROA1   Fr= 1--    -221.826                 -5.048               -526.193
 CID1   Fr= 1--      -0.822                 -0.032                 -0.968
 Raman2 Fr= 1--      45.285                 67.235                222.938
 ROA2   Fr= 1--      -0.691                -17.420                -57.603
 CID2   Fr= 1--      -0.015                 -0.259                 -0.258
 Raman3 Fr= 1--      90.570                134.469                445.876
 ROA3   Fr= 1--    -221.826                 -5.048               -526.193
 CID3   Fr= 1--      -2.449                 -0.038                 -1.180
 RC180  Fr= 1--      -0.328                  0.713                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.01   0.07  -0.01     0.00  -0.06   0.01
    10   6     0.00   0.00   0.00    -0.02  -0.04  -0.04    -0.01  -0.04  -0.05
    11   6     0.01   0.02  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01   0.01   0.06    -0.00   0.01   0.02
    20   1     0.00  -0.00   0.00     0.02  -0.05   0.03    -0.00   0.01  -0.01
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    22   1     0.00   0.00   0.00    -0.32  -0.41  -0.12     0.26   0.32   0.10
    23   1     0.00  -0.00   0.00     0.15  -0.41   0.29    -0.14   0.37  -0.27
    24   1    -0.00   0.00   0.00     0.06   0.00  -0.02    -0.14   0.02   0.04
    25   1    -0.00   0.00   0.00    -0.03  -0.00  -0.00    -0.10   0.02   0.00
    26   1     0.00  -0.00  -0.00    -0.05   0.08   0.44    -0.06   0.10   0.52
    27   1    -0.00  -0.00  -0.00     0.28   0.36   0.10     0.31   0.40   0.11
    28   1    -0.17  -0.22   0.94    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.04  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1     0.03   0.04  -0.15     0.00   0.00  -0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.7159              3096.8921              3111.0142
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2046                 6.2203                 6.2857
 IR Inten    --      7.4794                76.2276                26.7324
 RamAct Fr= 1--     12.6696                62.5466               106.6295
  Dep-P Fr= 1--      0.7359                 0.4943                 0.6883
  Dep-U Fr= 1--      0.8478                 0.6616                 0.8153
 Alpha2 Fr= 1--      0.0031                 0.3171                 0.1155
 Beta2  Fr= 1--      1.7903                 6.8970                14.4900
 AlphaG Fr= 1--     -0.0672                -0.0140                 0.0724
 Gamma2 Fr= 1--      5.2719                -2.3636                 1.4296
 Delta2 Fr= 1--      1.4909                 1.0269                -4.8170
 Raman1 Fr= 1--      50.678                250.186                426.518
 ROA1   Fr= 1--     553.809               -194.045                -16.902
 CID1   Fr= 1--      10.928                 -0.776                 -0.040
 Raman2 Fr= 1--      21.484                 82.764                173.880
 ROA2   Fr= 1--     114.598                -64.942                 72.847
 CID2   Fr= 1--       5.334                 -0.785                  0.419
 Raman3 Fr= 1--      42.967                165.527                347.761
 ROA3   Fr= 1--     553.809               -194.045                -16.902
 CID3   Fr= 1--      12.889                 -1.172                 -0.049
 RC180  Fr= 1--       0.696                  0.323                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.07   0.01  -0.00    -0.06   0.00  -0.00     0.00   0.00   0.00
    10   6     0.06  -0.00  -0.02    -0.06  -0.01   0.02     0.00   0.00   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.00   0.01   0.03     0.00  -0.00  -0.02    -0.00   0.00   0.00
    20   1     0.01  -0.02   0.02     0.01  -0.01   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.00  -0.00     0.16  -0.04  -0.03    -0.00   0.00   0.00
    22   1     0.18   0.26   0.07     0.19   0.27   0.08    -0.00  -0.00  -0.00
    23   1     0.05  -0.19   0.13     0.04  -0.14   0.09     0.00   0.00  -0.00
    24   1     0.58  -0.15  -0.15     0.51  -0.13  -0.14    -0.00   0.00   0.00
    25   1    -0.54   0.15   0.10     0.57  -0.16  -0.10    -0.00   0.00   0.00
    26   1    -0.01   0.05   0.25     0.01  -0.04  -0.19     0.00   0.00  -0.00
    27   1    -0.14  -0.20  -0.06     0.20   0.28   0.09    -0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.03  -0.14
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.20  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.9190              3161.7150              3167.3220
 Red. masses --      1.1014                 1.0868                 1.0871
 Frc consts  --      6.3569                 6.4007                 6.4257
 IR Inten    --     12.6711                11.0810                 8.4638
 RamAct Fr= 1--     28.8783                49.8699                53.6791
  Dep-P Fr= 1--      0.6745                 0.7234                 0.6440
  Dep-U Fr= 1--      0.8056                 0.8395                 0.7834
 Alpha2 Fr= 1--      0.0386                 0.0228                 0.1026
 Beta2  Fr= 1--      3.8775                 6.9775                 7.0091
 AlphaG Fr= 1--      0.0775                -0.0434                -0.1234
 Gamma2 Fr= 1--     -1.5744                 1.5353                -2.5138
 Delta2 Fr= 1--      2.4426                 0.2034                 1.5572
 Raman1 Fr= 1--     115.513                199.480                214.717
 ROA1   Fr= 1--     -72.976                153.898               -191.492
 CID1   Fr= 1--      -0.632                  0.771                 -0.892
 Raman2 Fr= 1--      46.530                 83.730                 84.109
 ROA2   Fr= 1--     -57.326                 35.220                -72.789
 CID2   Fr= 1--      -1.232                  0.421                 -0.865
 Raman3 Fr= 1--      93.060                167.459                168.218
 ROA3   Fr= 1--     -72.976                153.898               -191.492
 CID3   Fr= 1--      -0.784                  0.919                 -1.138
 RC180  Fr= 1--       0.611                  0.679                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.06
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.03
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.02   0.02  -0.06    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.33  -0.22   0.75
    16   1    -0.02   0.01  -0.03    -0.02   0.01  -0.03    -0.30   0.18  -0.38
    17   1     0.01   0.01  -0.02    -0.30  -0.21   0.68     0.01   0.00  -0.02
    18   1     0.00  -0.00   0.00    -0.36   0.22  -0.46     0.05  -0.03   0.06
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    24   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    27   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    28   1    -0.02  -0.03   0.15    -0.01  -0.01   0.02     0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    32   1     0.15  -0.42   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82    -0.00  -0.00   0.01     0.00   0.01  -0.03
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7823              3185.4868              3723.6485
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5106                 6.5389                 8.6917
 IR Inten    --     18.1419                 3.4109                62.4765
 RamAct Fr= 1--     98.9768               143.6594               105.0858
  Dep-P Fr= 1--      0.1360                 0.1197                 0.2384
  Dep-U Fr= 1--      0.2394                 0.2137                 0.3850
 Alpha2 Fr= 1--      1.5851                 2.3964                 1.2863
 Beta2  Fr= 1--      3.9493                 5.1175                 6.7435
 AlphaG Fr= 1--      0.5098                -0.5213                -0.3692
 Gamma2 Fr= 1--      3.7886                -0.6236                -5.4366
 Delta2 Fr= 1--      0.4071                -0.7305                 0.0875
 Raman1 Fr= 1--     395.907                574.637                420.343
 ROA1   Fr= 1--     376.728                -83.246               -519.115
 CID1   Fr= 1--       0.952                 -0.145                 -1.235
 Raman2 Fr= 1--      47.392                 61.410                 80.922
 ROA2   Fr= 1--      87.669                 -9.123               -131.178
 CID2   Fr= 1--       1.850                 -0.149                 -1.621
 Raman3 Fr= 1--      94.783                122.819                161.844
 ROA3   Fr= 1--     376.728                -83.246               -519.115
 CID3   Fr= 1--       3.975                 -0.678                 -3.208
 RC180  Fr= 1--      -0.521                 -0.573                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.01    -0.04   0.03  -0.05     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.02   0.01  -0.05    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.04   0.02  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1    -0.02  -0.01   0.05    -0.20  -0.14   0.46    -0.00  -0.00   0.00
    16   1     0.10  -0.06   0.13     0.48  -0.29   0.61     0.00   0.00  -0.00
    17   1    -0.25  -0.17   0.55     0.04   0.03  -0.09     0.00   0.00  -0.00
    18   1     0.44  -0.27   0.55    -0.08   0.05  -0.10    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.25   0.94  -0.22
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1525.328776240.173296479.96984
           X            0.99977   0.02139   0.00198
           Y           -0.02134   0.99956  -0.02054
           Z           -0.00242   0.02049   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05678     0.01388     0.01337
 Rotational constants (GHZ):           1.18318     0.28921     0.27851
 Zero-point vibrational energy     747039.7 (Joules/Mol)
                                  178.54677 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.48    53.94    69.11    83.01   130.92
          (Kelvin)            164.09   225.10   288.66   322.11   356.53
                              369.81   387.20   405.64   493.15   507.58
                              560.85   585.21   604.84   613.86   683.65
                              808.32   826.72   901.69   926.14   958.21
                             1018.95  1092.44  1130.24  1184.04  1197.46
                             1231.73  1234.10  1251.71  1295.97  1356.42
                             1379.47  1395.71  1401.09  1413.01  1460.01
                             1506.19  1559.36  1575.43  1587.85  1597.86
                             1649.17  1671.51  1731.09  1745.71  1760.45
                             1779.24  1790.79  1842.60  1884.34  1884.64
                             1941.94  1965.83  1978.88  1997.19  2003.48
                             2022.12  2037.48  2050.38  2101.89  2142.78
                             2143.65  2146.92  2155.07  2156.57  2170.77
                             2176.46  2232.86  2327.30  2385.72  2598.32
                             4320.35  4353.62  4355.78  4363.70  4384.47
                             4408.02  4417.70  4439.72  4443.39  4448.29
                             4455.74  4476.06  4503.26  4549.00  4557.07
                             4573.56  4583.21  5357.50
 
 Zero-point correction=                           0.284532 (Hartree/Particle)
 Thermal correction to Energy=                    0.300060
 Thermal correction to Enthalpy=                  0.301004
 Thermal correction to Gibbs Free Energy=         0.240320
 Sum of electronic and zero-point Energies=           -656.739078
 Sum of electronic and thermal Energies=              -656.723551
 Sum of electronic and thermal Enthalpies=            -656.722607
 Sum of electronic and thermal Free Energies=         -656.783291
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.290             58.557            127.720
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.489
 Vibrational            186.513             52.596             53.357
 Vibration     1          0.593              1.985              6.218
 Vibration     2          0.594              1.982              5.388
 Vibration     3          0.595              1.978              4.897
 Vibration     4          0.596              1.974              4.534
 Vibration     5          0.602              1.956              3.639
 Vibration     6          0.607              1.938              3.199
 Vibration     7          0.620              1.895              2.592
 Vibration     8          0.638              1.839              2.127
 Vibration     9          0.649              1.805              1.927
 Vibration    10          0.661              1.766              1.746
 Vibration    11          0.667              1.751              1.682
 Vibration    12          0.674              1.730              1.602
 Vibration    13          0.681              1.707              1.522
 Vibration    14          0.722              1.590              1.199
 Vibration    15          0.729              1.570              1.154
 Vibration    16          0.758              1.492              1.001
 Vibration    17          0.772              1.456              0.938
 Vibration    18          0.783              1.426              0.891
 Vibration    19          0.788              1.412              0.870
 Vibration    20          0.832              1.305              0.723
 Vibration    21          0.918              1.114              0.520
 Vibration    22          0.931              1.086              0.495
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288683-110       -110.539579       -254.526787
 Total V=0       0.216829D+21         20.336117         46.825640
 Vib (Bot)       0.882757-125       -125.054159       -287.947842
 Vib (Bot)    1  0.839749D+01          0.924149          2.127933
 Vib (Bot)    2  0.551996D+01          0.741936          1.708371
 Vib (Bot)    3  0.430461D+01          0.633934          1.459686
 Vib (Bot)    4  0.357998D+01          0.553881          1.275357
 Vib (Bot)    5  0.225915D+01          0.353945          0.814989
 Vib (Bot)    6  0.179428D+01          0.253889          0.584601
 Vib (Bot)    7  0.129357D+01          0.111791          0.257409
 Vib (Bot)    8  0.993612D+00         -0.002783         -0.006409
 Vib (Bot)    9  0.882076D+00         -0.054494         -0.125477
 Vib (Bot)   10  0.788433D+00         -0.103235         -0.237708
 Vib (Bot)   11  0.756781D+00         -0.121030         -0.278681
 Vib (Bot)   12  0.718444D+00         -0.143607         -0.330667
 Vib (Bot)   13  0.681236D+00         -0.166702         -0.383847
 Vib (Bot)   14  0.540797D+00         -0.266966         -0.614712
 Vib (Bot)   15  0.522029D+00         -0.282305         -0.650031
 Vib (Bot)   16  0.460623D+00         -0.336655         -0.775176
 Vib (Bot)   17  0.436028D+00         -0.360486         -0.830049
 Vib (Bot)   18  0.417564D+00         -0.379277         -0.873317
 Vib (Bot)   19  0.409451D+00         -0.387798         -0.892938
 Vib (Bot)   20  0.353436D+00         -0.451689         -1.040053
 Vib (Bot)   21  0.276158D+00         -0.558842         -1.286782
 Vib (Bot)   22  0.266627D+00         -0.574095         -1.321903
 Vib (V=0)       0.663036D+06          5.821537         13.404585
 Vib (V=0)    1  0.891236D+01          0.949993          2.187439
 Vib (V=0)    2  0.604256D+01          0.781221          1.798828
 Vib (V=0)    3  0.483355D+01          0.684266          1.575581
 Vib (V=0)    4  0.411473D+01          0.614341          1.414573
 Vib (V=0)    5  0.281382D+01          0.449296          1.034543
 Vib (V=0)    6  0.236264D+01          0.373397          0.859779
 Vib (V=0)    7  0.188684D+01          0.275736          0.634905
 Vib (V=0)    8  0.161232D+01          0.207452          0.477677
 Vib (V=0)    9  0.151393D+01          0.180106          0.414710
 Vib (V=0)   10  0.143361D+01          0.156431          0.360195
 Vib (V=0)   11  0.140704D+01          0.148306          0.341487
 Vib (V=0)   12  0.137531D+01          0.138400          0.318677
 Vib (V=0)   13  0.134503D+01          0.128733          0.296419
 Vib (V=0)   14  0.123652D+01          0.092201          0.212301
 Vib (V=0)   15  0.122285D+01          0.087374          0.201186
 Vib (V=0)   16  0.117983D+01          0.071821          0.165373
 Vib (V=0)   17  0.116342D+01          0.065735          0.151360
 Vib (V=0)   18  0.115143D+01          0.061237          0.141004
 Vib (V=0)   19  0.114626D+01          0.059283          0.136503
 Vib (V=0)   20  0.111230D+01          0.046224          0.106434
 Vib (V=0)   21  0.107119D+01          0.029868          0.068774
 Vib (V=0)   22  0.106665D+01          0.028021          0.064521
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.281133D+07          6.448912         14.849169
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655444433322222211     
     2        87663199887643220                           051510999986210987651184321064109841877540755328506427672209548654205195432
     4        59720172860473763                           688239982091565285600015743326145475240931086236986475257070332978416418875
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X XXXXXXXXXXXXXXXXXX XXXXXXXXXXX XXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXXX                    
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                                         
     X              X                                     X                           X                                              
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002700   -0.000000405    0.000001092
      2        6           0.000001237    0.000003018   -0.000005361
      3        6           0.000000234   -0.000000515    0.000000826
      4        6          -0.000015854   -0.000002116    0.000005902
      5        6           0.000007750   -0.000004050   -0.000000903
      6        6          -0.000006593    0.000000545    0.000003350
      7        6          -0.000006712    0.000006523    0.000004967
      8        6          -0.000004530    0.000001275    0.000001615
      9        6           0.000004080   -0.000004027   -0.000012761
     10        6           0.000004161   -0.000010994    0.000003978
     11        6           0.000029668    0.000004342   -0.000000610
     12        6          -0.000007416    0.000002545    0.000004038
     13        8           0.000001254   -0.000000520   -0.000003365
     14        8           0.000000324   -0.000006314   -0.000004531
     15        1           0.000000299   -0.000002215    0.000000615
     16        1          -0.000000765    0.000000864    0.000001066
     17        1          -0.000000937    0.000003315   -0.000000179
     18        1           0.000000372    0.000001211   -0.000001255
     19        1           0.000001962   -0.000003538   -0.000000475
     20        1           0.000002378   -0.000003105   -0.000001875
     21        1           0.000004131    0.000004194    0.000001038
     22        1          -0.000001097    0.000001730    0.000000018
     23        1          -0.000001506    0.000000662    0.000000570
     24        1          -0.000001499    0.000003211    0.000004080
     25        1          -0.000001511    0.000003334   -0.000002528
     26        1          -0.000001485   -0.000001268   -0.000001264
     27        1          -0.000001114    0.000001344   -0.000000962
     28        1          -0.000005019    0.000000639    0.000003479
     29        6           0.000002628   -0.000006374   -0.000006008
     30        1          -0.000001168    0.000005075   -0.000001348
     31        1          -0.000003043   -0.000000872    0.000000886
     32        1          -0.000001601    0.000000940    0.000003482
     33        1          -0.000001327    0.000001549    0.000002424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029668 RMS     0.000004878
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208048D+03 -0.601070D+00  0.177908D+01
      2  -0.601070D+00  0.136432D+03 -0.793707D+01
      3   0.177908D+01 -0.793707D+01  0.152219D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.996232D+01 -0.825389D+01  0.227350D+02
      2   0.273912D+01 -0.699944D+01  0.486162D+02
      3  -0.110946D+03 -0.351794D+02  0.133694D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.155795D+03  0.515007D+02 -0.236444D+02
      2  -0.869600D+02 -0.311238D+02  0.358388D+02
      3  -0.688347D+02 -0.203769D+02 -0.121944D+02
      4  -0.302606D+02  0.720289D+02 -0.146427D+02
      5  -0.271893D+02 -0.212546D+02  0.108523D+03
      6   0.197110D+01  0.196465D+02 -0.293582D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.981965D+01  0.229509D+00  0.642382D+00  0.532524D+01  0.206382D+01
      2   0.229509D+00  0.110481D+01 -0.351534D-01  0.206382D+01  0.179476D+01
      3   0.642382D+00 -0.351534D-01  0.939509D+00 -0.409725D+00 -0.258780D+01
                 6             7             8             9            10 
      1  -0.409725D+00 -0.856326D+01  0.316672D+00 -0.296975D+00  0.278321D+02
      2  -0.258780D+01  0.316672D+00 -0.124089D+01 -0.974796D+00  0.175067D+01
      3  -0.223364D+01 -0.296975D+00 -0.974796D+00 -0.173631D+01 -0.128218D+01
                11            12            13            14            15 
      1   0.175067D+01 -0.128218D+01 -0.214536D+00  0.393389D+01  0.128669D+01
      2   0.195941D+01 -0.659962D+00  0.393389D+01 -0.107668D+01 -0.143422D+00
      3  -0.659962D+00  0.275629D+01  0.128669D+01 -0.143422D+00 -0.815687D+00
                16            17            18            19            20 
      1  -0.361604D+01  0.122279D+01  0.114414D+01  0.734722D+01 -0.417081D+00
      2   0.122279D+01  0.463174D-01 -0.990706D+00 -0.417081D+00 -0.904602D+00
      3   0.114414D+01 -0.990706D+00 -0.293946D+00 -0.500076D+00 -0.471655D+00
                21            22            23            24            25 
      1  -0.500076D+00  0.323227D+01 -0.153818D+01 -0.110038D+01 -0.118566D+02
      2  -0.471655D+00 -0.153818D+01  0.245105D+01 -0.202313D+01 -0.179419D-02
      3  -0.258639D+01 -0.110038D+01 -0.202313D+01 -0.869587D+00  0.341798D+00
                26            27            28            29            30 
      1  -0.179419D-02  0.341798D+00 -0.245294D+02 -0.482279D+00  0.103558D+01
      2  -0.873881D+00 -0.764522D+00 -0.482279D+00 -0.146347D+01  0.153953D+00
      3  -0.764522D+00 -0.137049D+01  0.103558D+01  0.153953D+00 -0.254799D+01
                31            32            33            34            35 
      1   0.278540D+01 -0.453672D+01 -0.149230D+01  0.289097D+01 -0.138498D+01
      2  -0.453672D+01  0.821927D+00  0.449973D+00 -0.138498D+01  0.131118D+00
      3  -0.149230D+01  0.449973D+00  0.120141D-01 -0.647929D+00 -0.767688D+00
                36            37            38            39            40 
      1  -0.647929D+00  0.114057D+02 -0.518761D+00 -0.978204D+00 -0.418570D+01
      2  -0.767688D+00 -0.518761D+00 -0.208110D+01  0.124708D+01 -0.153695D+01
      3   0.768626D+00 -0.978204D+00  0.124708D+01 -0.142916D+01  0.711035D-01
                41            42            43            44            45 
      1  -0.153695D+01  0.711035D-01  0.958433D+01 -0.156157D+01  0.390072D+00
      2  -0.250040D+01  0.214986D+01 -0.156157D+01  0.116057D+01  0.133241D+01
      3   0.214986D+01  0.214882D+01  0.390072D+00  0.133241D+01  0.147512D+01
                46            47            48            49            50 
      1  -0.849002D+01  0.616841D+00  0.739209D+00 -0.184191D+01  0.143213D+01
      2   0.616841D+00  0.141775D+01 -0.505975D+00  0.143213D+01 -0.348870D+01
      3   0.739209D+00 -0.505975D+00  0.284271D+01  0.173515D+01  0.195601D+01
                51            52            53            54            55 
      1   0.173515D+01  0.119008D+02  0.140208D+01 -0.722444D+00 -0.129651D+02
      2   0.195601D+01  0.140208D+01 -0.105062D+00  0.138365D+01 -0.294670D+01
      3   0.845171D+00 -0.722444D+00  0.138365D+01  0.703841D+00 -0.600214D+00
                56            57            58            59            60 
      1  -0.294670D+01 -0.600214D+00 -0.641769D+01 -0.707780D+01 -0.451491D+00
      2  -0.387974D+01 -0.483062D-01 -0.707780D+01  0.296786D+00 -0.201961D+01
      3  -0.483062D-01 -0.144351D+01 -0.451491D+00 -0.201961D+01  0.172053D+01
                61            62            63            64            65 
      1  -0.156606D+01 -0.550695D+00 -0.308723D+01 -0.434867D+01  0.456149D+01
      2  -0.550695D+00 -0.255671D+01  0.268797D+01  0.456149D+01  0.301458D+01
      3  -0.308723D+01  0.268797D+01  0.473607D+01  0.252615D+01 -0.209324D+00
                66            67            68            69            70 
      1   0.252615D+01  0.124882D+02  0.506761D+01 -0.533345D-01  0.532514D+01
      2  -0.209324D+00  0.506761D+01  0.154860D+01  0.318474D+01  0.629822D+00
      3   0.491073D+00 -0.533345D-01  0.318474D+01 -0.234772D+01  0.365399D-01
                71            72            73            74            75 
      1   0.629822D+00  0.365399D-01  0.285693D+01 -0.341163D+01 -0.264516D+01
      2   0.328490D+01 -0.221292D+01 -0.341163D+01 -0.334773D+01 -0.142888D+00
      3  -0.221292D+01 -0.419413D+01 -0.264516D+01 -0.142888D+00 -0.131399D+01
                76            77            78            79            80 
      1  -0.502106D+01 -0.439800D+01 -0.463175D-01 -0.318279D+01  0.188616D+00
      2  -0.439800D+01 -0.884997D+00 -0.417081D+01  0.188616D+00 -0.322727D+01
      3  -0.463175D-01 -0.417081D+01  0.243617D+01 -0.270238D+00  0.227106D+01
                81            82            83            84            85 
      1  -0.270238D+00  0.333522D+01 -0.390283D+01 -0.142574D+01 -0.548414D+01
      2   0.227106D+01 -0.390283D+01 -0.373753D+01  0.301598D+00 -0.367919D+01
      3   0.253163D+01 -0.142574D+01  0.301598D+00 -0.759298D+00 -0.144697D+00
                86            87            88            89            90 
      1  -0.367919D+01 -0.144697D+00 -0.199405D+01 -0.772633D+00 -0.645344D+00
      2  -0.233992D+01 -0.243945D+01 -0.772633D+00 -0.310073D+01  0.176500D+01
      3  -0.243945D+01  0.256285D+01 -0.645344D+00  0.176500D+01  0.597299D+01
                91            92            93            94            95 
      1   0.337950D+01  0.283086D+01  0.553249D+00  0.226921D+00  0.527871D+01
      2   0.283086D+01  0.166269D+01  0.857243D+00  0.527871D+01 -0.328319D+01
      3   0.553249D+00  0.857243D+00  0.138788D+01  0.168805D+01  0.830812D-02
                96            97            98            99           100 
      1   0.168805D+01  0.362291D+01  0.154664D+01  0.195957D+01  0.251491D+01
      2   0.830812D-02  0.154664D+01  0.179171D+01  0.188557D+01 -0.151732D+01
      3   0.139704D+01  0.195957D+01  0.188557D+01 -0.427484D+01  0.146337D+01
               101           102           103           104           105 
      1  -0.151732D+01  0.146337D+01 -0.165814D+01 -0.421101D+00 -0.138702D+01
      2   0.326432D+00 -0.803832D+00 -0.421101D+00  0.280495D+01  0.222292D+00
      3  -0.803832D+00  0.363853D+00 -0.138702D+01  0.222292D+00 -0.159465D+01
               106           107           108           109           110 
      1   0.214464D+01 -0.213363D+01  0.102272D+01 -0.510011D+01  0.200955D+01
      2  -0.213363D+01  0.168392D+01 -0.200972D+01  0.200955D+01 -0.158058D+01
      3   0.102272D+01 -0.200972D+01  0.303673D+01 -0.331236D+01  0.639738D+00
               111           112           113           114           115 
      1  -0.331236D+01  0.281255D+01 -0.244335D+01  0.125098D+01 -0.682958D+01
      2   0.639738D+00 -0.244335D+01  0.279221D+01 -0.226540D+01  0.265738D+01
      3  -0.184595D+01  0.125098D+01 -0.226540D+01  0.207837D+01 -0.295318D+01
               116           117           118           119           120 
      1   0.265738D+01 -0.295318D+01  0.962041D+00 -0.113866D-01  0.118947D+01
      2  -0.418444D+01  0.189778D+01 -0.113866D-01  0.194384D+01  0.414726D+00
      3   0.189778D+01 -0.727658D+01  0.118947D+01  0.414726D+00  0.294909D+00
               121           122           123           124           125 
      1  -0.191220D+00  0.184612D+01  0.209405D+00  0.286482D+01 -0.102647D+01
      2   0.184612D+01 -0.504962D+01  0.772248D+00 -0.102647D+01  0.279647D+01
      3   0.209405D+00  0.772248D+00  0.204912D+00 -0.757343D+00  0.236197D+01
               126           127           128           129           130 
      1  -0.757343D+00  0.216212D+01  0.748523D+00 -0.191049D+01  0.448521D+00
      2   0.236197D+01  0.748523D+00  0.405433D+00 -0.348015D+00  0.283963D+00
      3   0.440069D+01 -0.191049D+01 -0.348015D+00  0.188172D+01 -0.628164D+00
               131           132           133           134           135 
      1   0.283963D+00 -0.628164D+00 -0.216144D+01 -0.869727D+00  0.258237D+01
      2   0.517842D+00 -0.686932D+00 -0.869727D+00 -0.120579D+01  0.154608D+01
      3  -0.686932D+00  0.205652D+01  0.258237D+01  0.154608D+01 -0.706597D+01
               136           137           138           139           140 
      1  -0.387786D+01  0.121568D+01 -0.191709D+01  0.173256D+01 -0.628816D+00
      2   0.121568D+01 -0.849737D+00  0.589678D+00 -0.628816D+00  0.686606D+00
      3  -0.191709D+01  0.589678D+00 -0.169361D+01  0.109014D+01 -0.662634D+00
               141           142           143           144           145 
      1   0.109014D+01 -0.230976D+01  0.857939D+00 -0.242896D+01 -0.209393D+01
      2  -0.662634D+00  0.857939D+00 -0.124499D+01  0.146392D+01 -0.644646D+00
      3   0.170084D+01 -0.242896D+01  0.146392D+01 -0.441602D+01  0.206016D+01
               146           147           148           149           150 
      1  -0.644646D+00  0.206016D+01 -0.398895D+00 -0.240642D+00  0.693673D+00
      2  -0.401174D+00  0.609332D+00 -0.240642D+00 -0.716529D+00  0.957545D+00
      3   0.609332D+00 -0.215917D+01  0.693673D+00  0.957545D+00 -0.239382D+01
               151           152           153           154           155 
      1   0.204445D+01  0.101416D+01 -0.262670D+01  0.381821D+01 -0.100809D+01
      2   0.101416D+01  0.167366D+01 -0.241164D+01 -0.100809D+01  0.108249D+01
      3  -0.262670D+01 -0.241164D+01  0.740279D+01  0.248882D+01 -0.971470D+00
               156           157           158           159           160 
      1   0.248882D+01 -0.162623D+01  0.874462D+00 -0.131408D+01  0.249557D+01
      2  -0.971470D+00  0.874462D+00 -0.957757D+00  0.106257D+01 -0.121358D+01
      3   0.211401D+01 -0.131408D+01  0.106257D+01 -0.199486D+01  0.275036D+01
               161           162           163           164           165 
      1  -0.121358D+01  0.275036D+01  0.144842D+01 -0.431056D+00 -0.169678D+01
      2   0.179739D+01 -0.209163D+01 -0.431056D+00  0.891640D+00  0.449805D+00
      3  -0.209163D+01  0.474124D+01 -0.169678D+01  0.449805D+00  0.131557D+01
               166           167           168           169           170 
      1   0.965608D+00  0.151217D+01  0.510571D+00 -0.413237D+01  0.634983D+00
      2   0.151217D+01 -0.119996D+01 -0.130973D+01  0.634983D+00 -0.176920D+01
      3   0.510571D+00 -0.130973D+01 -0.135788D+01  0.284487D+01 -0.246708D+01
               171           172           173           174           175 
      1   0.284487D+01  0.319631D+01 -0.191214D+01  0.107772D+01 -0.255982D+01
      2  -0.246708D+01 -0.191214D+01  0.232346D+01 -0.358496D+00  0.322352D+01
      3  -0.672993D+01  0.107772D+01 -0.358496D+00  0.629692D+00 -0.539985D+00
               176           177           178           179           180 
      1   0.322352D+01 -0.539985D+00  0.394363D+01 -0.792251D+00  0.118122D+01
      2  -0.570815D+01  0.141121D+01 -0.792251D+00  0.254153D+01 -0.159968D+01
      3   0.141121D+01 -0.109264D+01  0.118122D+01 -0.159968D+01  0.899078D+00
               181           182           183           184           185 
      1   0.131090D+02 -0.157040D+01 -0.172828D+01 -0.306422D+01  0.122531D+01
      2  -0.157040D+01  0.110827D+01  0.209240D+00  0.122531D+01 -0.105947D+01
      3  -0.172828D+01  0.209240D+00  0.140465D+01  0.181738D+00 -0.738773D+00
               186           187           188           189           190 
      1   0.181738D+00 -0.227795D+01  0.560425D-01  0.202368D+01  0.434841D+01
      2  -0.738773D+00  0.560425D-01 -0.782097D+00  0.357093D-01  0.312152D+01
      3  -0.109249D+00  0.202368D+01  0.357093D-01 -0.358668D+00  0.223682D+01
               191           192           193           194           195 
      1   0.312152D+01  0.223682D+01  0.380739D+01  0.376244D+01  0.180704D+01
      2   0.282107D+01  0.123722D+01  0.376244D+01  0.502945D+01  0.255876D+01
      3   0.123722D+01  0.188604D+01  0.180704D+01  0.255876D+01  0.202202D+01
               196           197           198           199           200 
      1   0.138309D+01  0.949843D+00  0.162392D+01  0.134004D+01 -0.790869D+00
      2   0.949843D+00  0.141672D+01  0.129184D+01 -0.790869D+00  0.127906D+01
      3   0.162392D+01  0.129184D+01  0.141765D+01  0.166449D+01 -0.639858D+00
               201           202           203           204           205 
      1   0.166449D+01 -0.147009D+01  0.134311D+01 -0.122826D+01  0.159100D+01
      2  -0.639858D+00  0.134311D+01 -0.356110D+01  0.259455D+01 -0.676617D+00
      3   0.152250D+01 -0.122826D+01  0.259455D+01 -0.338901D+01  0.157380D+01
               206           207           208           209           210 
      1  -0.676617D+00  0.157380D+01 -0.677064D+01  0.438059D+00  0.770238D+00
      2   0.206728D+01 -0.218513D+01  0.438059D+00 -0.117267D+01 -0.733178D+00
      3  -0.218513D+01  0.391629D+01  0.770238D+00 -0.733178D+00 -0.196613D+01
               211           212           213           214           215 
      1   0.414722D+00 -0.695335D+00 -0.642113D+00  0.735021D+00 -0.432089D+00
      2  -0.695335D+00  0.911696D+00  0.892687D+00 -0.432089D+00  0.668477D+00
      3  -0.642113D+00  0.892687D+00  0.432311D+00 -0.100610D+01  0.160420D+00
               216           217           218           219           220 
      1  -0.100610D+01 -0.696058D+01  0.634625D+00  0.694726D+00  0.481614D+00
      2   0.160420D+00  0.634625D+00 -0.212507D+01  0.341324D+00 -0.132713D+01
      3   0.111614D+01  0.694726D+00  0.341324D+00 -0.108714D+01  0.192618D+00
               221           222           223           224           225 
      1  -0.132713D+01  0.192618D+00  0.904892D+00 -0.743539D-01 -0.622084D+00
      2   0.145964D+01  0.278097D+00 -0.743539D-01  0.756285D+00  0.149985D+00
      3   0.278097D+00  0.142269D+00 -0.622084D+00  0.149985D+00 -0.310142D+00
               226           227           228           229           230 
      1   0.268324D+00  0.391083D+00 -0.121594D+01  0.214903D-01  0.402560D+00
      2   0.391083D+00  0.587195D+00 -0.116608D+00  0.402560D+00 -0.794944D-01
      3  -0.121594D+01 -0.116608D+00  0.952687D+00  0.109838D-01 -0.777712D+00
               231           232           233           234           235 
      1   0.109838D-01 -0.148621D+01 -0.333447D+00  0.129287D+01  0.381638D+01
      2  -0.777712D+00 -0.333447D+00 -0.129752D+01  0.441790D+00  0.369694D+01
      3  -0.956237D+00  0.129287D+01  0.441790D+00 -0.896780D+01  0.300275D-01
               236           237           238           239           240 
      1   0.369694D+01  0.300275D-01  0.348793D+01  0.430784D+01 -0.119896D+00
      2   0.400283D+01 -0.221738D+00  0.430784D+01  0.736130D+01  0.342898D-02
      3  -0.221738D+00  0.948623D+00 -0.119896D+00  0.342898D-02  0.710343D+00
               241           242           243           244           245 
      1   0.968777D+00  0.683842D+00  0.891130D+00  0.243773D+00 -0.879451D+00
      2   0.683842D+00  0.147701D+01  0.808667D+00 -0.879451D+00 -0.491510D+00
      3   0.891130D+00  0.808667D+00 -0.174667D+00  0.146557D+01  0.100417D+00
               246           247           248           249           250 
      1   0.146557D+01 -0.124136D+01 -0.101617D+01  0.187763D+00  0.243758D+01
      2   0.100417D+00 -0.101617D+01 -0.567515D+00  0.115137D+01  0.200547D+00
      3  -0.117012D+01  0.187763D+00  0.115137D+01 -0.120505D+01 -0.191631D+01
               251           252           253           254           255 
      1   0.200547D+00 -0.191631D+01  0.782375D+01 -0.720461D+00 -0.192078D+01
      2   0.142516D+01 -0.103378D+01 -0.720461D+00 -0.326628D+01 -0.726416D+00
      3  -0.103378D+01  0.613484D+01 -0.192078D+01 -0.726416D+00 -0.973495D+00
               256           257           258           259           260 
      1  -0.467314D+01 -0.348927D+01 -0.113573D+01 -0.611192D+01 -0.149764D+01
      2  -0.348927D+01  0.403945D+01 -0.129454D+01 -0.149764D+01 -0.235881D+01
      3  -0.113573D+01 -0.129454D+01 -0.169955D+01 -0.148735D+01 -0.139779D+01
               261           262           263           264           265 
      1  -0.148735D+01 -0.851192D+00  0.128658D+01  0.442590D+00  0.154062D+01
      2  -0.139779D+01  0.128658D+01 -0.174391D+01 -0.405517D+00 -0.247432D+01
      3   0.378369D+01  0.442590D+00 -0.405517D+00 -0.364766D+00 -0.482904D+00
               266           267           268           269           270 
      1  -0.247432D+01 -0.482904D+00 -0.202619D+00  0.475350D+00 -0.190461D+00
      2   0.873891D+01  0.167794D+01  0.475350D+00 -0.127586D+01  0.517502D+00
      3   0.167794D+01  0.152461D+01 -0.190461D+00  0.517502D+00  0.448039D+00
               271           272           273           274           275 
      1  -0.148165D+02 -0.175209D+01  0.378279D+00  0.516980D+00 -0.119740D+01
      2  -0.175209D+01 -0.130586D+01 -0.111668D+00 -0.119740D+01 -0.433147D+00
      3   0.378279D+00 -0.111668D+00 -0.102938D+01  0.115704D+00  0.265096D+00
               276           277           278           279           280 
      1   0.115704D+00  0.225805D+01  0.460035D+00 -0.129063D+01 -0.360458D-02
      2   0.265096D+00  0.460035D+00  0.633509D+00  0.175023D-01 -0.894206D+00
      3   0.279490D+00 -0.129063D+01  0.175023D-01  0.756205D-01  0.344382D+00
               281           282           283           284           285 
      1  -0.894206D+00  0.344382D+00 -0.136745D+01 -0.239978D+00 -0.179142D-01
      2   0.192304D+01  0.200123D+00 -0.239978D+00 -0.858973D+01  0.249725D-01
      3   0.200123D+00  0.400299D+00 -0.179142D-01  0.249725D-01 -0.874667D+00
               286           287           288           289           290 
      1   0.103217D+01  0.308154D+00  0.988982D-01 -0.581067D+00  0.279476D+00
      2   0.308154D+00  0.112704D+01 -0.886707D+00  0.279476D+00  0.496949D+00
      3   0.988982D-01 -0.886707D+00 -0.110244D+00 -0.669952D+00  0.158589D+00
               291           292           293           294           295 
      1  -0.669952D+00  0.112759D+01  0.382690D+00  0.162712D+00 -0.183728D+01
      2   0.158589D+00  0.382690D+00  0.241170D+00 -0.501713D+00 -0.283430D+00
      3   0.238095D+00  0.162712D+00 -0.501713D+00  0.659961D+00 -0.808699D+00
               296           297 
      1  -0.283430D+00 -0.808699D+00
      2  -0.125580D+01 -0.225059D+00
      3  -0.225059D+00 -0.628132D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243809D+01 -0.215377D+01  0.139442D+01 -0.719295D+01 -0.185755D+01
      2   0.277411D+01 -0.257506D+01  0.971130D+01 -0.178219D+01  0.222605D+01
      3   0.167630D+02 -0.137845D+01  0.272593D+01  0.688117D+01 -0.198073D+01
                 6             7             8             9            10 
      1  -0.249713D+01 -0.700331D+00  0.182548D+01 -0.568764D-01 -0.393194D+01
      2  -0.308667D+01 -0.461693D+01 -0.102358D+01  0.218336D+01 -0.332998D+00
      3   0.264758D+01  0.133087D+02  0.400055D+00  0.228631D+01 -0.338119D+02
                11            12            13            14            15 
      1  -0.562127D+00  0.120413D+01  0.268645D+01  0.392947D+01 -0.826676D+01
      2   0.836975D+00 -0.231102D+01  0.418710D+01  0.660642D-01  0.229471D+00
      3  -0.206758D+01  0.105397D+01  0.102204D+02 -0.153597D+01 -0.104679D+01
                16            17            18            19            20 
      1  -0.402892D+01 -0.179878D+01 -0.422124D+01 -0.582007D+00  0.121264D+01
      2  -0.209813D+02 -0.145381D+01 -0.400986D+01 -0.329167D+01 -0.235595D+01
      3   0.738331D+00 -0.126310D+01 -0.292842D+00 -0.930204D+01 -0.169999D+01
                21            22            23            24            25 
      1  -0.129477D+01  0.557060D+01 -0.212738D+01 -0.345398D+01  0.487480D+01
      2   0.361365D+01 -0.388547D+01 -0.216953D+01  0.484563D+00 -0.267605D+01
      3   0.296790D+01  0.855776D+01  0.146460D+01 -0.240571D+01  0.163907D+02
                26            27            28            29            30 
      1   0.153217D+01 -0.161384D+01  0.182362D+01  0.796193D+00 -0.290781D+01
      2   0.716649D+00 -0.125872D+01  0.289990D+00  0.210736D+01 -0.298685D+01
      3  -0.585152D+00 -0.405387D+01  0.255371D+02  0.103167D+01 -0.265707D+01
                31            32            33            34            35 
      1  -0.137026D+01  0.461336D+01 -0.798240D+01 -0.557597D+01 -0.125081D+01
      2   0.450811D+01 -0.119084D+00  0.295380D+01 -0.224350D+02  0.318478D+01
      3   0.695880D+01  0.514910D+01  0.822505D+00 -0.583841D+01 -0.212657D+01
                36            37            38            39            40 
      1  -0.307510D+01 -0.296329D+01 -0.393754D+00 -0.114797D+01 -0.474370D+01
      2  -0.604982D+00 -0.226100D+01 -0.243618D+01  0.850044D+01 -0.331443D+01
      3   0.235445D+01 -0.132519D+02 -0.384477D+00  0.280878D+01  0.152665D+02
                41            42            43            44            45 
      1   0.168243D+01  0.666309D+00 -0.203228D+01  0.381930D+01  0.234616D+01
      2   0.145715D+01 -0.268617D+01 -0.711527D+01 -0.572041D+00  0.144746D+01
      3  -0.324365D+00  0.190848D+01 -0.913419D+01  0.353393D+01  0.116133D+01
                46            47            48            49            50 
      1   0.247265D+01  0.121519D+01  0.268950D+01  0.878047D+01  0.132848D+01
      2  -0.230080D-01 -0.229550D+01  0.348758D+01 -0.325820D+01 -0.173956D+01
      3   0.139425D+02 -0.204386D+01 -0.316965D+00  0.121005D+02  0.143302D+01
                51            52            53            54            55 
      1  -0.246948D+01  0.224990D+01  0.313928D+01 -0.161743D-01  0.183684D+01
      2   0.114795D+01 -0.452553D+01  0.473457D+00  0.398046D+00 -0.707806D+01
      3  -0.481162D+01 -0.124621D+02 -0.193626D+01 -0.128863D+01  0.232998D+02
                56            57            58            59            60 
      1   0.177774D+01 -0.208424D+00  0.411101D+01 -0.307781D+01  0.231567D+01
      2  -0.686193D+00 -0.279495D+01 -0.427194D+01 -0.122066D+02  0.771390D+01
      3   0.127295D+02  0.178943D+00  0.400503D+02  0.901436D+01  0.823844D+01
                61            62            63            64            65 
      1  -0.787005D+00  0.813618D+01  0.443757D+01 -0.200663D+01 -0.124213D+00
      2  -0.200263D+02  0.899609D+01  0.160859D+02  0.120614D+02  0.452453D-01
      3   0.360531D+01  0.104075D+02 -0.488580D+01 -0.282278D+02 -0.165332D+02
                66            67            68            69            70 
      1  -0.741723D+00 -0.319216D+01 -0.234874D+01 -0.300138D+01  0.260434D+01
      2   0.598986D+01  0.419301D+01  0.152104D+02 -0.107743D+02 -0.211339D+01
      3   0.153498D+01 -0.252063D+02 -0.774380D+01 -0.131594D+02 -0.495235D+01
                71            72            73            74            75 
      1   0.527981D+01  0.201810D+01 -0.227334D+01 -0.630509D+01  0.505741D+00
      2  -0.959075D+01 -0.175335D+02 -0.180105D+02  0.539794D+01  0.384096D+01
      3  -0.142975D+02  0.759034D+01  0.174473D+02  0.934183D+01 -0.225163D+01
                76            77            78            79            80 
      1  -0.900993D+01  0.177334D+01 -0.138361D+02  0.636958D+00 -0.651748D+01
      2   0.683495D+01 -0.101126D+02  0.104865D+02  0.333888D+01  0.943664D+01
      3   0.177198D+02  0.110740D+01  0.164679D+02 -0.272922D+01  0.129415D+02
                81            82            83            84            85 
      1   0.278374D+01  0.631433D+01  0.426976D+01  0.131840D+01  0.542867D+01
      2   0.121174D+02 -0.968621D-01 -0.399125D+01 -0.192564D+01 -0.669012D+01
      3  -0.931571D+01  0.244299D+02  0.359128D+01 -0.245262D+01  0.742734D+01
                86            87            88            89            90 
      1   0.887328D+01 -0.450292D+01  0.295075D+01  0.336461D+01 -0.157991D+02
      2  -0.137860D+02  0.101032D+02 -0.610836D+01  0.676380D+01  0.207215D+02
      3   0.120860D+01  0.100491D+02  0.225582D+00  0.112599D+02 -0.696877D+01
                91            92            93            94            95 
      1   0.918950D+00  0.135862D+00  0.177387D+01  0.208492D+01 -0.155798D+01
      2  -0.414000D+01 -0.319690D+01 -0.302342D+00 -0.386092D+01 -0.293238D+01
      3  -0.209765D+00 -0.717314D+00  0.243518D+01  0.307178D+02 -0.153474D+02
                96            97            98            99           100 
      1  -0.330047D+01  0.274310D+01  0.486872D+01 -0.157071D+01 -0.845237D+00
      2  -0.631980D+01 -0.157709D+02 -0.649910D+01  0.151817D+02  0.201005D+01
      3  -0.100388D+01  0.137308D+01  0.419612D+01  0.478492D+01  0.109720D+02
               101           102           103           104           105 
      1  -0.547273D+01 -0.471871D+01 -0.691283D+00 -0.173046D+00  0.217532D+01
      2   0.318401D+01  0.459291D+01  0.200616D+01  0.991968D+00  0.116496D+02
      3  -0.129810D+02 -0.448823D+01 -0.726577D+01  0.206350D+01  0.314428D+01
               106           107           108           109           110 
      1  -0.639409D+01  0.818508D+00 -0.400520D+01  0.444049D+01  0.280172D+01
      2  -0.298695D+01  0.824374D+01 -0.169269D+02  0.909182D+01 -0.270959D+01
      3  -0.833319D+01  0.119306D+02 -0.472293D+01 -0.653380D+00 -0.475793D+01
               111           112           113           114           115 
      1   0.389993D+01 -0.465907D+00  0.816086D+00 -0.665415D+01  0.405661D+01
      2   0.874342D+01 -0.753290D+00  0.757322D+01 -0.101144D+02  0.350293D+01
      3   0.383079D+00 -0.340608D+01  0.115988D+02 -0.772580D+01  0.979869D+01
               116           117           118           119           120 
      1   0.469601D+01  0.116074D+02 -0.356257D+01  0.303005D+01  0.176879D+00
      2  -0.577443D+01  0.286962D+02 -0.541581D+01 -0.766468D+00  0.146277D+00
      3  -0.176588D+02  0.493359D+01 -0.593567D+00  0.602433D+01  0.409592D+01
               121           122           123           124           125 
      1   0.112512D+01 -0.568342D+01 -0.319381D+01 -0.240925D+01  0.733381D+01
      2  -0.203674D+01 -0.440108D+01 -0.176853D+01 -0.250001D+01 -0.652975D+01
      3   0.694165D+01 -0.118450D+02  0.293241D+01 -0.179596D+01  0.821018D+01
               126           127           128           129           130 
      1  -0.660204D+01 -0.265593D+01 -0.227633D+01  0.115333D+01 -0.834356D+00
      2  -0.138880D+02  0.503764D+01  0.154293D+01 -0.152690D+01  0.771905D+00
      3   0.742101D+01 -0.639513D+00 -0.845763D+00  0.816660D+00  0.887475D+00
               131           132           133           134           135 
      1  -0.161500D+01  0.145401D-01  0.320018D+01  0.542435D+01 -0.532410D+01
      2   0.177385D+00  0.364084D+00 -0.487125D+01 -0.664483D+00 -0.185056D+01
      3  -0.300992D+00  0.177566D+00  0.101802D+01  0.215503D+01 -0.169278D+01
               136           137           138           139           140 
      1  -0.285525D+01  0.321611D+01 -0.821882D+00  0.114698D+01 -0.138638D+01
      2  -0.852772D+01  0.227414D+01 -0.147990D+01  0.255798D+01 -0.712021D+00
      3   0.800889D+00 -0.156521D+01  0.754227D+00  0.781829D+00  0.111452D+01
               141           142           143           144           145 
      1  -0.505059D+00 -0.186929D+01  0.398946D+01 -0.290958D+01  0.191413D+01
      2   0.138930D+00 -0.404644D+01  0.445674D+00  0.346367D+00  0.421628D+01
      3  -0.328049D+00  0.759843D+00 -0.246578D+01  0.176910D+01  0.304701D+01
               146           147           148           149           150 
      1  -0.949174D+00 -0.245145D+01  0.959109D+00  0.992914D-01 -0.370134D+01
      2   0.493710D+00 -0.131159D+01  0.284212D+00 -0.170548D-01  0.541758D+00
      3   0.117693D+00 -0.232626D+01  0.165554D+01 -0.230729D+00 -0.733375D+00
               151           152           153           154           155 
      1  -0.176839D+01  0.211144D+01  0.602705D+01  0.327857D+01  0.155699D+01
      2  -0.453311D+01 -0.501347D+00 -0.573518D+00 -0.533017D+01  0.170032D-01
      3  -0.257255D+01  0.539819D+00  0.232842D+01 -0.634635D+01 -0.104851D+01
               156           157           158           159           160 
      1   0.281061D+01 -0.136359D+01  0.502060D+00 -0.360682D+01  0.289295D+01
      2  -0.643282D+00  0.939172D+00  0.748975D-01 -0.134757D+01 -0.252893D+01
      3  -0.284023D+01  0.345499D+01  0.436669D+00  0.902731D+00 -0.303708D+01
               161           162           163           164           165 
      1   0.120919D+01  0.471614D+01 -0.135493D+01 -0.428838D+00  0.131317D+01
      2  -0.417487D+00  0.185608D+01 -0.607887D+01  0.674012D+00  0.487751D+01
      3  -0.142849D+01 -0.178917D+01 -0.105565D+01 -0.377867D+01  0.816543D+00
               166           167           168           169           170 
      1  -0.212470D+00 -0.108542D+00 -0.197019D+01  0.278030D+01  0.828631D+00
      2   0.176422D+01 -0.341200D+01 -0.460479D+01  0.472213D+01 -0.861500D+01
      3  -0.481316D+01  0.223118D+01  0.318090D+01  0.318444D+01  0.532127D+01
               171           172           173           174           175 
      1  -0.737089D+01  0.194436D+01 -0.148474D+01  0.162953D+01 -0.258339D+01
      2  -0.226214D+02  0.654564D+01 -0.241242D+01  0.444382D+01 -0.290479D+01
      3   0.406634D+01  0.261760D+01 -0.675466D+01  0.150380D-01 -0.538097D+01
               176           177           178           179           180 
      1   0.428846D+01 -0.462795D+01  0.170680D+01 -0.237308D+01  0.285538D+01
      2   0.749145D+01 -0.528723D+01  0.401119D+01 -0.659627D+01  0.404108D+01
      3   0.157047D+02 -0.393494D+01 -0.271680D+01 -0.828365D+01  0.388990D+01
               181           182           183           184           185 
      1   0.344008D+00 -0.528499D+00 -0.219137D+00  0.502243D-01  0.512104D+00
      2  -0.398167D+01  0.511334D+00  0.880651D+01 -0.139394D+00 -0.331594D+01
      3   0.651238D+01 -0.796365D+01 -0.877741D+00 -0.256356D+01  0.491244D+01
               186           187           188           189           190 
      1  -0.941895D+00 -0.507822D+00  0.107034D+01 -0.124988D+00  0.353979D+01
      2  -0.213216D+00  0.654506D+01  0.293223D+00 -0.920127D+00  0.225523D+01
      3   0.352011D+01  0.146833D+00  0.413536D+01 -0.387209D+00 -0.926439D+01
               191           192           193           194           195 
      1   0.496331D+01 -0.478252D+00  0.549851D+01  0.733943D+01  0.446010D+00
      2   0.472825D-02  0.600225D+01 -0.521931D-01  0.471613D+01  0.671622D+01
      3  -0.110459D+02 -0.344608D+01 -0.105641D+02 -0.189510D+02 -0.924888D+01
               196           197           198           199           200 
      1   0.992289D+00  0.288560D+01  0.683252D+00 -0.259663D+01  0.306465D+01
      2   0.275271D+01  0.324512D+01  0.353975D+01  0.561520D+01 -0.110170D+01
      3  -0.206204D+01 -0.554502D+01 -0.416098D+01  0.311651D+01 -0.601849D+01
               201           202           203           204           205 
      1  -0.178210D+01  0.276107D+01 -0.998861D+01  0.522229D+01 -0.206476D+01
      2   0.450407D+01 -0.101582D+01  0.897739D+01 -0.128570D+02  0.152315D+01
      3   0.313048D+01 -0.343332D+01  0.155050D+02 -0.102589D+02  0.250110D+01
               206           207           208           209           210 
      1   0.761509D+01 -0.570895D+01 -0.157203D+01 -0.239382D+01  0.129951D+01
      2  -0.815808D+01  0.136020D+02  0.206419D+02 -0.327291D+01 -0.797039D+01
      3  -0.872705D+01  0.898798D+01 -0.957617D+01  0.318593D+01  0.366950D+01
               211           212           213           214           215 
      1  -0.149131D+01  0.325478D+00  0.641807D-01  0.889146D+00  0.201407D+01
      2  -0.260399D+01  0.540096D+01  0.244909D+01 -0.871999D+01  0.136121D+01
      3   0.473802D+01 -0.335379D+01 -0.375404D+01  0.247458D+01 -0.231427D+01
               216           217           218           219           220 
      1  -0.465961D+00 -0.977274D+00  0.181717D+01  0.257698D+01  0.155136D+01
      2   0.565379D+01 -0.777426D+01  0.186047D+01 -0.110731D+01  0.151107D+01
      3  -0.172890D+01 -0.216025D+02  0.688960D+01  0.347954D+00  0.748266D+01
               221           222           223           224           225 
      1  -0.167924D+01 -0.122583D+01  0.210145D+01  0.367291D+00  0.214107D-01
      2  -0.936198D+00 -0.290869D+00 -0.340939D+01 -0.164382D+00 -0.176163D+01
      3  -0.724369D+01 -0.959855D+00  0.165546D+01 -0.287802D+01 -0.188937D+01
               226           227           228           229           230 
      1   0.170259D+01 -0.571142D+00 -0.129803D+01 -0.273107D+00  0.188985D+01
      2  -0.502207D+01 -0.361273D+00  0.260475D+01 -0.659978D+00 -0.242912D+01
      3  -0.228073D+01 -0.245367D+01 -0.118220D+01 -0.454130D+00  0.131494D+01
               231           232           233           234           235 
      1   0.192730D+01 -0.132500D+01  0.452226D+01  0.161947D+02 -0.451990D+01
      2  -0.390101D+01 -0.601100D+00  0.814446D+00 -0.316303D+02  0.401189D+01
      3   0.241363D+01 -0.114499D+01  0.454292D+01 -0.157564D+01 -0.704580D+01
               236           237           238           239           240 
      1  -0.446812D+01 -0.302823D+01 -0.545024D+01 -0.860981D+01 -0.387995D+01
      2   0.280391D+01  0.532543D+01  0.353598D+01  0.435774D+01  0.358171D+01
      3  -0.104494D+02  0.128404D+01 -0.688104D+01 -0.213857D+02 -0.701285D-01
               241           242           243           244           245 
      1  -0.236175D+01 -0.205562D+01 -0.844561D+00  0.349849D+00 -0.369123D+00
      2   0.367837D+01  0.333907D+01  0.225214D+00 -0.558723D+01  0.976541D-02
      3  -0.556660D+00 -0.496445D+01 -0.167061D+01 -0.266524D+01 -0.171696D+01
               246           247           248           249           250 
      1  -0.816270D+00 -0.162919D+00  0.133745D+00 -0.772287D+00 -0.128331D+01
      2   0.359775D+01  0.270439D+00 -0.279112D+01  0.413800D+01  0.129478D+01
      3  -0.565444D+00 -0.870473D+00 -0.105152D+01  0.301447D+01 -0.113313D+01
               251           252           253           254           255 
      1   0.264632D+01  0.320187D+01 -0.223937D+01  0.985969D+00 -0.217687D+01
      2   0.350294D+01 -0.189478D+02  0.151589D+02  0.347011D+01  0.613287D+01
      3   0.365440D+01 -0.196977D+01 -0.163660D+02 -0.141653D+02  0.290920D+00
               256           257           258           259           260 
      1  -0.147543D+01 -0.616575D+01 -0.393975D+01 -0.510047D+00  0.143365D+01
      2   0.432695D+01  0.469467D+01  0.598613D+01  0.347578D+01  0.506942D+01
      3  -0.519039D+01  0.215801D+02 -0.342164D+01  0.134995D+01 -0.598045D+01
               261           262           263           264           265 
      1   0.889336D+01  0.809413D+00 -0.155009D+01  0.394283D+00 -0.244639D+01
      2  -0.184228D+02 -0.620018D+00  0.109825D+00  0.862286D+00 -0.207347D+00
      3  -0.458963D+01  0.266178D+01 -0.376829D+01 -0.161395D+01 -0.320444D+01
               266           267           268           269           270 
      1   0.897600D+01 -0.156158D+01  0.456012D+00 -0.134936D+01  0.763626D+00
      2  -0.305381D+01 -0.452982D+01  0.191442D+00 -0.164020D+01 -0.951126D+00
      3   0.253688D+02  0.482582D+01  0.112425D+01 -0.417640D+01  0.155933D+01
               271           272           273           274           275 
      1   0.116202D+01  0.513540D+00 -0.204160D+01  0.901809D+00  0.626614D+00
      2  -0.840331D+01 -0.209883D+00  0.754308D+01 -0.773037D+00 -0.161373D+01
      3   0.155593D+02 -0.561565D+01 -0.118268D+01 -0.416115D+01  0.173743D+00
               276           277           278           279           280 
      1  -0.942121D-01 -0.220906D+01  0.703032D+00 -0.917453D-01  0.147509D+01
      2  -0.844623D+00  0.479334D+01 -0.353322D+00 -0.472514D+00 -0.122228D+01
      3   0.101853D+01 -0.146638D+01  0.191240D+01  0.213300D+01 -0.531902D+01
               281           282           283           284           285 
      1  -0.745940D+00  0.151667D+01 -0.328401D+00  0.519714D+01 -0.391916D+01
      2  -0.957253D+00 -0.118665D+01 -0.773366D+00 -0.802078D-01  0.298471D+01
      3   0.765789D+01 -0.279152D+00  0.456717D+01 -0.310937D+02  0.562458D+00
               286           287           288           289           290 
      1   0.701012D+00 -0.133611D+01  0.438944D+00 -0.182848D+01 -0.579398D+00
      2  -0.158797D+01  0.303828D+01  0.548943D+00  0.436582D+01  0.184824D-01
      3  -0.122426D+01  0.366033D+01 -0.332163D+01  0.180291D+01  0.961340D+00
               291           292           293           294           295 
      1   0.476271D+00 -0.246927D+00 -0.256079D+01  0.949465D+00 -0.307605D+00
      2  -0.165638D+01  0.129196D+01  0.241263D+01 -0.304361D+01 -0.171243D+01
      3   0.113860D+01  0.102225D+01  0.705350D+00 -0.207638D+01  0.150441D+01
               296           297 
      1   0.326954D+01 -0.111561D+02
      2  -0.687638D-01  0.248414D+02
      3  -0.417034D+01  0.103819D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192833D+01 -0.822263D+01  0.202992D+02  0.122544D+02 -0.959681D+00
      2   0.665868D+01  0.369899D+01 -0.773438D+01 -0.321250D+01  0.258154D+01
      3  -0.858701D+01  0.452364D+01 -0.125648D+02 -0.904186D+01 -0.162185D+01
      4  -0.727032D+00  0.255683D+01 -0.702269D+00  0.854001D+01  0.520095D+01
      5   0.214598D+02 -0.152878D+00 -0.765816D+01 -0.933530D+01 -0.340386D+01
      6  -0.680453D+00 -0.329124D+01  0.225526D+01 -0.165757D+01  0.392493D+01
                 6             7             8             9            10 
      1  -0.181777D+02 -0.195830D+02 -0.955138D+01  0.562888D+01  0.455448D+02
      2   0.197406D+01  0.319987D+01  0.246751D+01  0.380499D+01 -0.221901D+02
      3   0.162037D+02  0.163832D+02  0.708387D+01 -0.943387D+01 -0.233548D+02
      4  -0.412245D+01  0.401927D+01 -0.204385D+01 -0.465931D+01 -0.886582D+01
      5  -0.299364D+01  0.972246D+01 -0.420524D+01  0.551309D+01 -0.940850D+01
      6   0.119998D+02 -0.667463D+01  0.503457D+01  0.140116D+02  0.319296D+01
                11            12            13            14            15 
      1   0.837821D+01 -0.201534D+01  0.144645D+02 -0.272977D+01  0.616348D+01
      2  -0.760529D+01  0.348467D+01 -0.128642D+02  0.740541D+01 -0.817682D+00
      3  -0.772917D+00 -0.146932D+01 -0.160027D+01 -0.467564D+01 -0.534580D+01
      4   0.284459D+01 -0.309965D+01  0.158095D+02 -0.628316D+01 -0.675195D+00
      5  -0.378161D+01  0.872308D+01  0.128596D+02 -0.179538D+00 -0.291889D+01
      6   0.759459D+00 -0.634863D+01 -0.452088D+01  0.418952D+01  0.870588D+01
                16            17            18            19            20 
      1  -0.906368D+01  0.581368D+01 -0.206630D+02 -0.247694D+01  0.490244D+01
      2  -0.174935D+01  0.431527D+01  0.382618D+01 -0.235453D+01 -0.185543D+01
      3   0.108130D+02 -0.101289D+02  0.168368D+02  0.483147D+01 -0.304701D+01
      4   0.135879D+02  0.199877D+00 -0.418089D+01  0.368816D+01 -0.683834D+00
      5  -0.151348D+02 -0.352789D+01 -0.290352D+01 -0.190189D+02  0.285382D+01
      6  -0.538390D+01  0.264344D+01 -0.427241D+01  0.375896D+01  0.470834D+01
                21            22            23            24            25 
      1  -0.237175D+02 -0.829858D+01 -0.538153D+01 -0.509075D+01  0.215229D+02
      2   0.677156D+01 -0.204738D+01  0.665989D+01  0.279310D-01  0.374111D+00
      3   0.169460D+02  0.103460D+02 -0.127836D+01  0.506282D+01 -0.218970D+02
      4   0.279666D+01  0.352072D+01 -0.592386D+00  0.318396D+01  0.415677D+01
      5  -0.716773D+00  0.146535D+01  0.106150D+01  0.720251D+01  0.134470D+02
      6   0.404667D+01  0.327907D+01  0.220725D+01  0.672555D+01  0.100684D+02
                26            27            28            29            30 
      1  -0.880160D+01  0.794467D+01  0.119703D+02 -0.406387D+00  0.115568D+01
      2   0.195224D+01 -0.258186D+01 -0.101655D+01  0.470331D+01  0.418902D+00
      3   0.684936D+01 -0.536281D+01 -0.109537D+02 -0.429692D+01 -0.157458D+01
      4   0.329181D+01  0.649923D+01  0.241829D+02  0.169975D+01 -0.144870D+01
      5   0.512538D+01 -0.563934D+01  0.433347D+01 -0.940169D+00  0.622813D+01
      6   0.139083D+01  0.104060D+02  0.279114D+01 -0.109732D+01  0.407186D+01
                31            32            33            34            35 
      1  -0.771432D+00 -0.150425D+01  0.765343D+01 -0.839128D+01  0.951232D+01
      2   0.624594D+01  0.455545D+01 -0.229984D+01  0.108034D+01  0.234537D+01
      3  -0.547451D+01 -0.305120D+01 -0.535359D+01  0.731094D+01 -0.118577D+02
      4   0.135462D+02 -0.108084D+00  0.165085D+01  0.106410D+02  0.452655D+01
      5   0.116592D+02  0.997835D+00  0.386964D+00 -0.183001D+02  0.190310D+01
      6  -0.814097D+00  0.377389D+01  0.588776D+01 -0.152870D+01  0.206537D+01
                36            37            38            39            40 
      1  -0.196054D+02  0.773095D+01 -0.129674D+02  0.205741D+02  0.355182D+01
      2   0.366905D+01  0.898786D+00  0.114344D+02 -0.113501D+02  0.494113D+01
      3   0.159363D+02 -0.862973D+01  0.153306D+01 -0.922398D+01 -0.849295D+01
      4   0.933192D+00 -0.105995D+02 -0.736436D+00  0.316846D+01  0.141364D+02
      5  -0.689587D+00  0.122944D+02  0.202600D+01 -0.105688D+02 -0.328558D+01
      6  -0.737859D+01 -0.348089D+00 -0.501850D+01  0.583714D+01 -0.334906D+00
                41            42            43            44            45 
      1  -0.960700D+01 -0.817873D+01 -0.160110D+02 -0.521683D+01  0.938714D+01
      2   0.158784D+02 -0.914099D+01  0.123960D+01 -0.273826D+01 -0.973330D+00
      3  -0.627141D+01  0.173197D+02  0.147714D+02  0.795509D+01 -0.841381D+01
      4   0.626245D+01 -0.249747D+01 -0.386305D+01 -0.143301D+01 -0.623490D+01
      5  -0.127857D+01 -0.132990D+01  0.665521D+01 -0.526999D+01  0.827551D+01
      6  -0.549429D+01  0.422988D+01 -0.894917D+01  0.223081D+00  0.912358D+01
                46            47            48            49            50 
      1  -0.659016D+01  0.101942D+02 -0.224686D+02 -0.199814D+01 -0.131326D+02
      2   0.143108D+01 -0.713663D+01  0.680936D+01 -0.733631D+01  0.220294D+02
      3   0.515908D+01 -0.305757D+01  0.156592D+02  0.933445D+01 -0.889678D+01
      4   0.118538D+02 -0.345735D+00  0.473106D+01  0.832459D+01 -0.663242D+01
      5  -0.120877D+02  0.512581D+01 -0.867531D+00  0.871792D+01  0.257477D+01
      6   0.384989D+01  0.386605D+01 -0.444199D+01 -0.123838D+01 -0.492655D+01
                51            52            53            54            55 
      1   0.508767D+01  0.334772D+02 -0.378966D+01  0.117990D+02 -0.266652D+02
      2  -0.109789D+02 -0.971962D+01 -0.211282D+00 -0.666679D+01  0.124726D+02
      3   0.589124D+01 -0.237576D+02  0.400094D+01 -0.513224D+01  0.141926D+02
      4   0.147542D+01 -0.405678D+01  0.109975D+00  0.755501D+01 -0.846589D+01
      5   0.731370D+01  0.574626D+01  0.670837D+01 -0.533237D+01 -0.556362D+01
      6   0.383415D+01  0.110871D+02 -0.346623D+01  0.733858D+01  0.128437D+01
                56            57            58            59            60 
      1  -0.124868D+02 -0.633967D+01 -0.330947D+02 -0.259312D+02  0.709095D+00
      2   0.937012D+01  0.695425D+00  0.243820D+02  0.581671D+01  0.629150D+01
      3   0.311664D+01  0.564425D+01  0.871271D+01  0.201145D+02 -0.700060D+01
      4  -0.278706D+02  0.417816D+00 -0.475446D+02  0.126549D+02 -0.151935D+02
      5   0.587255D-01 -0.114885D+02 -0.146315D+01 -0.145892D+02  0.138011D+02
      6   0.658249D+00  0.196980D+01  0.105380D+01  0.391043D+01 -0.465526D+01
                61            62            63            64            65 
      1  -0.148202D+02  0.660025D+00 -0.179365D+01 -0.860164D+02  0.309085D+02
      2  -0.112267D+01  0.799432D+01  0.661062D+01  0.467165D+02 -0.142103D+02
      3   0.159429D+02 -0.865435D+01 -0.481696D+01  0.392999D+02 -0.166982D+02
      4  -0.949907D+00 -0.191288D+02  0.241555D+02  0.296332D+02  0.232333D+02
      5  -0.231544D+02  0.208263D+02  0.359005D+02  0.255466D+02 -0.246683D+01
      6   0.100434D+02 -0.546333D+01 -0.117760D+02  0.654952D+00 -0.256417D+01
                66            67            68            69            70 
      1   0.249086D+02  0.632930D+02  0.254126D+02 -0.765899D+01  0.360415D+02
      2  -0.137882D+02 -0.300208D+02 -0.127326D+02  0.766122D+01 -0.151371D+02
      3  -0.111204D+02 -0.332722D+02 -0.126799D+02 -0.223175D-02 -0.209045D+02
      4  -0.119512D+01  0.310045D+02  0.843417D+01  0.230727D+02  0.225321D+01
      5   0.469591D+01 -0.225676D+01  0.243683D+02 -0.192000D+02 -0.129879D+01
      6   0.115811D+01  0.124412D+01  0.583989D+01 -0.422939D+01 -0.261579D+01
                71            72            73            74            75 
      1  -0.433828D+01  0.160169D+01  0.348822D+02 -0.236189D+02 -0.206701D+02
      2   0.743743D+01 -0.394911D+00 -0.178210D+02  0.579530D+01  0.111526D+02
      3  -0.309915D+01 -0.120678D+01 -0.170611D+02  0.178236D+02  0.951750D+01
      4   0.220930D+02 -0.158991D+02 -0.225294D+02 -0.314792D+02 -0.564330D+01
      5  -0.165186D+02 -0.324956D+02 -0.130783D+02 -0.806931D+01 -0.174101D+02
      6  -0.493316D+01 -0.464522D+01 -0.148008D+02 -0.929685D+01 -0.509354D+00
                76            77            78            79            80 
      1  -0.319587D+02 -0.274385D+02 -0.957978D+00 -0.247002D+02  0.129906D+01
      2   0.809048D+01  0.182711D+02 -0.109566D+02  0.120634D+02 -0.110605D+02
      3   0.238682D+02  0.916742D+01  0.119146D+02  0.126368D+02  0.976143D+01
      4  -0.408426D+02 -0.103499D+02 -0.358361D+02 -0.203354D+01 -0.269909D+02
      5  -0.876411D+01 -0.424901D+02  0.198930D+02 -0.100940D+02  0.188446D+02
      6  -0.143425D+02 -0.499524D+01 -0.108208D+02  0.188393D+01 -0.878797D+01
                81            82            83            84            85 
      1  -0.935940D+01  0.356047D+02 -0.217135D+02 -0.122135D+02 -0.307170D+02
      2  -0.429940D+00 -0.351414D+02 -0.289514D-01  0.602958D+01  0.231551D+01
      3   0.978934D+01 -0.463325D+00  0.217424D+02  0.618392D+01  0.284015D+02
      4   0.163612D+02 -0.185643D+02 -0.383069D+02 -0.884609D+00 -0.388771D+02
      5   0.148285D+02 -0.149106D+02  0.591469D+01 -0.399682D+01  0.390879D+01
      6   0.123702D+02  0.786579D+00  0.428446D+01 -0.260620D+01  0.275626D+01
                86            87            88            89            90 
      1  -0.264642D+02  0.843861D+01 -0.137904D+02  0.319707D+01  0.180629D+01
      2   0.544991D+00 -0.659189D+01  0.188204D+01 -0.776164D+01  0.223690D+02
      3   0.259192D+02 -0.184671D+01  0.119084D+02  0.456457D+01 -0.241753D+02
      4  -0.294157D+02 -0.155347D+02 -0.100366D+02 -0.220511D+02  0.101432D+02
      5  -0.135022D+02  0.189722D+02 -0.311830D+01  0.130280D+02  0.472602D+02
      6  -0.663910D+01  0.100224D+02 -0.126507D+01  0.946321D+01  0.112671D+02
                91            92            93            94            95 
      1   0.123684D+02 -0.696824D+01 -0.292441D+01 -0.124629D+02 -0.157140D+02
      2  -0.877397D+01 -0.402686D+00 -0.245385D+00  0.557222D+01  0.694465D+01
      3  -0.359447D+01  0.737092D+01  0.316980D+01  0.689067D+01  0.876939D+01
      4  -0.222291D+02 -0.138334D+02 -0.707758D+01 -0.361001D+02  0.143244D+02
      5  -0.842299D+01 -0.621133D+01 -0.841779D+01 -0.115141D+02 -0.254913D+01
      6  -0.387484D+01 -0.197668D+01 -0.379997D+01 -0.194829D+01 -0.461626D+01
                96            97            98            99           100 
      1  -0.621337D+01 -0.159185D+02 -0.801184D+01 -0.185753D+01 -0.559967D+01
      2   0.176188D+00  0.667159D+00 -0.826451D+00  0.746722D+01  0.597171D+00
      3   0.603718D+01  0.152513D+02  0.883829D+01 -0.560969D+01  0.500250D+01
      4  -0.198551D+01 -0.170893D+02 -0.128588D+02 -0.152992D+02  0.120745D+02
      5  -0.124136D+02 -0.150902D+02 -0.140831D+02  0.299094D+02 -0.152982D+02
      6  -0.238794D+01 -0.734318D+01 -0.282310D+01  0.855314D+01  0.545500D+01
               101           102           103           104           105 
      1   0.533704D+01 -0.724361D+01  0.185360D+02  0.296028D+01  0.922259D+01
      2   0.162633D+00  0.507606D+01 -0.121573D+02  0.360781D+00 -0.266030D+01
      3  -0.549967D+01  0.216755D+01 -0.637872D+01 -0.332106D+01 -0.656229D+01
      4  -0.313758D+01  0.669695D+01 -0.426143D+01 -0.114440D+02 -0.351801D+01
      5   0.582225D+01 -0.282527D+01  0.785082D+01 -0.338218D+01  0.216848D+02
      6  -0.581579D+01  0.564326D+01 -0.186292D+01 -0.758963D+00 -0.147436D+02
               106           107           108           109           110 
      1  -0.210048D+02  0.886135D+01 -0.419304D+01  0.418047D+02 -0.123333D+02
      2   0.779134D+01  0.231402D+01  0.216881D+01 -0.195068D+02  0.344803D+01
      3   0.132135D+02 -0.111754D+02  0.202423D+01 -0.222979D+02  0.888527D+01
      4   0.179409D+02 -0.165008D+02  0.180158D+02 -0.242736D+02  0.209161D+02
      5  -0.169682D+02  0.153852D+02 -0.236987D+02  0.291996D+02 -0.596178D+01
      6   0.100761D+02 -0.165605D+02  0.671141D+01 -0.110714D+02  0.403104D+01
               111           112           113           114           115 
      1   0.227845D+02 -0.149597D+02  0.314194D+01 -0.156075D+01  0.358414D+02
      2  -0.132921D+02  0.174719D+01  0.936527D+01 -0.187095D+01 -0.174524D+02
      3  -0.949240D+01  0.132125D+02 -0.125072D+02  0.343169D+01 -0.183890D+02
      4  -0.100679D+02  0.258704D+02 -0.240201D+02  0.177825D+02 -0.226528D+02
      5   0.218060D+02 -0.117931D+02  0.169369D+02 -0.189758D+02  0.332131D+02
      6  -0.780667D+01  0.612007D+01 -0.118481D+02  0.181485D+02 -0.110304D+02
               116           117           118           119           120 
      1  -0.244768D+01  0.992979D+01 -0.268539D+00 -0.918237D+01 -0.119291D+02
      2  -0.465553D+01 -0.135659D+02 -0.262460D+01  0.112189D+02  0.732809D+01
      3   0.710322D+01  0.363615D+01  0.289314D+01 -0.203655D+01  0.460102D+01
      4   0.303172D+02 -0.176479D+02  0.125822D+01 -0.470429D+01  0.361133D+01
      5  -0.157649D+02  0.555089D+02 -0.743510D+01 -0.757755D+00  0.586107D+01
      6   0.159951D+02 -0.278379D+02  0.365495D+01  0.530887D+01  0.145188D+01
               121           122           123           124           125 
      1  -0.348967D+01 -0.446078D+01 -0.539629D+01 -0.107776D+02 -0.847474D+01
      2   0.109570D+02 -0.141212D+02  0.218668D+01  0.580433D+01  0.804192D+01
      3  -0.746732D+01  0.185820D+02  0.320961D+01  0.497324D+01  0.432818D+00
      4  -0.680117D+01  0.350726D+02 -0.315324D+01  0.113859D+02 -0.161954D+02
      5   0.154769D+01 -0.243060D+01 -0.408203D+01  0.149793D+02 -0.151159D+02
      6   0.290972D+01  0.158183D+01  0.101500D+02 -0.526864D+01  0.196704D+02
               126           127           128           129           130 
      1  -0.105064D+02  0.252948D+00  0.939829D+00  0.235935D+01 -0.192103D+01
      2  -0.598402D+01 -0.545825D+01 -0.162770D+01  0.533387D+01 -0.894907D+00
      3   0.164904D+02  0.520531D+01  0.687872D+00 -0.769322D+01  0.281594D+01
      4  -0.134600D+02  0.197972D+01  0.272558D+01 -0.811755D+00  0.195373D+01
      5  -0.303136D+02 -0.927248D+01 -0.258219D+01  0.113137D+02 -0.269090D+01
      6   0.219744D+02  0.234651D+00 -0.174269D+01 -0.114364D+01 -0.143859D+01
               131           132           133           134           135 
      1  -0.294429D+01  0.691557D+01  0.344917D+01  0.384116D+01 -0.227276D+02
      2  -0.993848D+00  0.314442D+01  0.692727D+01  0.235005D+01 -0.156745D+02
      3   0.393814D+01 -0.100600D+02 -0.103764D+02 -0.619121D+01  0.384021D+02
      4   0.130500D+01 -0.174997D+01 -0.205084D+01 -0.353093D+01  0.236598D+01
      5  -0.296360D+01  0.374745D+01  0.121135D+02  0.413782D+01 -0.195888D+02
      6  -0.297702D+01  0.231017D+01  0.568908D+00  0.537881D+01 -0.926849D+00
               136           137           138           139           140 
      1   0.346208D+01 -0.285938D+00 -0.145343D+01 -0.864264D-01 -0.185386D+01
      2  -0.571192D+01  0.913658D+00 -0.420142D+01  0.215292D+01 -0.574334D+00
      3   0.224985D+01 -0.627720D+00  0.565485D+01 -0.206649D+01  0.242820D+01
      4  -0.288090D+01  0.376904D+01 -0.104003D+01  0.251169D+01 -0.308372D+01
      5   0.114607D+02 -0.313475D+01  0.958089D+01 -0.452994D+01  0.352304D+01
      6  -0.717813D+00  0.195349D+01 -0.762103D+00  0.833685D+00 -0.311836D+01
               141           142           143           144           145 
      1   0.492830D+01 -0.357881D+01  0.438085D+01 -0.123449D+02 -0.300023D+01
      2   0.216216D+01 -0.536768D+01  0.113740D+01 -0.843419D+01 -0.247162D+01
      3  -0.709047D+01  0.894648D+01 -0.551825D+01  0.207791D+02  0.547185D+01
      4   0.130823D+01 -0.118813D+01  0.264943D+01 -0.218236D+01  0.525922D+01
      5  -0.562680D+01  0.118351D+02 -0.421927D+01  0.148662D+02 -0.855985D+01
      6   0.241647D+01 -0.182176D+01  0.479436D+01 -0.338228D+01 -0.588213D+01
               146           147           148           149           150 
      1  -0.182405D+01  0.541976D+01 -0.272498D+01 -0.539427D+01  0.919889D+01
      2   0.538460D+00  0.264342D+01 -0.254763D+00  0.147527D+01 -0.297651D+00
      3   0.128559D+01 -0.806318D+01  0.297974D+01  0.391900D+01 -0.890124D+01
      4   0.359014D+01 -0.542962D+01  0.235101D+01  0.203329D+01 -0.298951D+01
      5  -0.337107D+01  0.111851D+02 -0.301327D+01 -0.278357D+01  0.370296D+01
      6  -0.356087D+01  0.610649D+01 -0.316049D+01 -0.630195D+01  0.975225D+01
               151           152           153           154           155 
      1   0.745972D+01  0.110136D+02 -0.293583D+02  0.372012D+01  0.275264D+01
      2   0.185314D+01 -0.343735D+01 -0.545442D+01 -0.264619D+01 -0.342520D+01
      3  -0.931286D+01 -0.757620D+01  0.348127D+02 -0.107393D+01  0.672561D+00
      4  -0.589237D+01 -0.500817D+01  0.788480D+01 -0.101954D+02  0.809831D+01
      5   0.103863D+02  0.488895D+01 -0.163276D+02  0.158551D+02 -0.538801D+01
      6   0.846825D+01  0.130258D+02 -0.240467D+02 -0.827093D+01  0.597976D+01
               156           157           158           159           160 
      1  -0.774545D+00  0.787420D+00 -0.390312D+01  0.536797D+01 -0.373212D+01
      2  -0.172024D+01 -0.156163D+00  0.254802D+01 -0.106955D+01 -0.159606D+01
      3   0.249479D+01 -0.631256D+00  0.135509D+01 -0.429841D+01  0.532818D+01
      4  -0.786820D+01  0.618199D+01 -0.629866D+01  0.633557D+01 -0.851282D+01
      5   0.134374D+02 -0.688347D+01  0.572795D+01 -0.843618D+01  0.148024D+02
      6  -0.813373D+01  0.589737D+01 -0.708070D+01  0.911386D+01 -0.102761D+02
               161           162           163           164           165 
      1   0.829686D+01 -0.135753D+02  0.749394D+01 -0.230990D+01 -0.847738D+01
      2  -0.492597D+01 -0.140938D+01 -0.706996D+01  0.657139D+00  0.615575D+01
      3  -0.337089D+01  0.149847D+02 -0.423986D+00  0.165276D+01  0.232163D+01
      4   0.773841D+01 -0.104908D+02 -0.573909D+01  0.952553D+01  0.653600D+01
      5  -0.762443D+01  0.195525D+02 -0.152521D+02  0.469586D+01  0.153367D+02
      6   0.120540D+02 -0.183451D+02  0.460480D+01 -0.187742D+01 -0.328117D+01
               166           167           168           169           170 
      1   0.441950D+01  0.107757D+01 -0.253020D+01 -0.138810D+02 -0.474521D+01
      2  -0.330993D+01  0.407627D+00  0.115302D+01  0.126992D+02  0.633701D+00
      3  -0.110957D+01 -0.148520D+01  0.137718D+01  0.118179D+01  0.411150D+01
      4   0.116201D+02 -0.992025D+01 -0.942690D+01  0.114206D+02 -0.135613D+02
      5   0.484387D+01 -0.941758D+01 -0.957263D+01  0.264722D+02 -0.178221D+02
      6  -0.344517D+01  0.650589D+01  0.938282D+01 -0.890841D+01  0.116936D+02
               171           172           173           174           175 
      1  -0.512903D+01  0.186980D+02 -0.100481D+02  0.620732D+01 -0.103867D+02
      2  -0.115857D+02 -0.306946D+01 -0.563268D+00 -0.159943D+01 -0.430627D+01
      3   0.167147D+02 -0.156285D+02  0.106114D+02 -0.460789D+01  0.146930D+02
      4  -0.210413D+02 -0.222819D+02  0.246977D+02 -0.529892D+01  0.322294D+02
      5  -0.494113D+02  0.838698D+01 -0.312310D+01  0.674373D+01 -0.447288D+01
      6   0.196969D+02 -0.268390D+01  0.160681D+00 -0.157495D+01  0.152171D+01
               176           177           178           179           180 
      1   0.350927D+01 -0.511815D+00  0.162122D+02 -0.118231D-01  0.226267D+01
      2   0.184356D+02 -0.416268D+01 -0.418335D+01 -0.688652D+01  0.612409D+00
      3  -0.219449D+02  0.467450D+01 -0.120288D+02  0.689834D+01 -0.287508D+01
      4  -0.470245D+02  0.114396D+02 -0.129978D+02  0.207710D+02 -0.136266D+02
      5   0.101173D+02 -0.829412D+01  0.967368D+01 -0.118878D+02  0.693481D+01
      6  -0.352235D+01  0.505480D+01 -0.399304D+01  0.599689D+01 -0.368947D+01
               181           182           183           184           185 
      1   0.141090D+03 -0.176294D+02 -0.179623D+02 -0.259210D+02  0.145187D+02
      2  -0.719683D+02  0.912534D+01  0.905428D+01  0.129113D+02 -0.566531D+01
      3  -0.691220D+02  0.850410D+01  0.890800D+01  0.130097D+02 -0.885338D+01
      4  -0.143831D+02  0.130745D+02  0.180073D+01  0.174042D+02 -0.897816D+01
      5  -0.216225D+02  0.252849D+01  0.165646D+02  0.290975D+01 -0.679770D+01
      6   0.983344D+00 -0.124041D+01  0.108070D+01 -0.151072D+01  0.118254D-01
               186           187           188           189           190 
      1   0.349805D+01 -0.204753D+02  0.264499D+01  0.176235D+02  0.352480D+02
      2  -0.233914D+01  0.116232D+02 -0.227045D+01 -0.107506D+02 -0.158209D+02
      3  -0.115890D+01  0.885208D+01 -0.374545D+00 -0.687294D+01 -0.194271D+02
      4  -0.624145D+01  0.990362D+00 -0.574419D+01 -0.649403D+00  0.333548D+02
      5  -0.105539D+01  0.238138D+02 -0.969720D+00 -0.551697D+01  0.274968D+02
      6   0.229461D+01  0.162532D+00  0.247632D+01  0.784755D+00  0.122977D+02
               191           192           193           194           195 
      1   0.216038D+02  0.141258D+02  0.250877D+02  0.157983D+02  0.587365D+01
      2  -0.639130D+01 -0.985671D+01 -0.688628D+01  0.160036D+01 -0.308050D+01
      3  -0.152125D+02 -0.426907D+01 -0.182014D+02 -0.173986D+02 -0.279315D+01
      4   0.301171D+02  0.131077D+02  0.385241D+02  0.464249D+02  0.227324D+02
      5   0.165138D+02  0.218291D+02  0.230505D+02  0.266158D+02  0.203208D+02
      6   0.107928D+02  0.761867D+01  0.146004D+02  0.197967D+02  0.141496D+02
               196           197           198           199           200 
      1   0.827275D+01  0.239503D+01  0.754362D+01  0.111512D+02 -0.738212D+01
      2  -0.688164D+01 -0.223279D+01 -0.611315D+01 -0.952241D+01  0.602804D+01
      3  -0.139112D+01 -0.162237D+00 -0.143047D+01 -0.162877D+01  0.135408D+01
      4   0.102534D+02  0.127715D+02  0.125382D+02 -0.808395D+01  0.126890D+02
      5   0.189291D+02  0.130377D+02  0.154972D+02  0.176679D+02 -0.815121D+01
      6   0.741238D+01  0.102860D+02  0.791585D+01 -0.196505D+01  0.431350D+01
               201           202           203           204           205 
      1   0.126957D+02 -0.118056D+02  0.700674D+01 -0.362191D+01  0.104899D+02
      2  -0.109049D+02  0.102575D+02 -0.876701D+01  0.133252D+02 -0.111720D+02
      3  -0.179084D+01  0.154811D+01  0.176027D+01 -0.970330D+01  0.682124D+00
      4  -0.577700D+01  0.139950D+02 -0.290192D+02  0.217554D+02 -0.597183D+01
      5   0.181088D+02 -0.150219D+02  0.246818D+02 -0.304030D+02  0.190595D+02
      6  -0.187457D+01  0.526857D+01 -0.130977D+02  0.969948D+01 -0.252660D+01
               206           207           208           209           210 
      1  -0.124915D+01  0.293039D+01 -0.465434D+02  0.944854D+01  0.137062D+02
      2   0.933777D+01 -0.180191D+02  0.226799D+02 -0.536111D+01 -0.185152D+01
      3  -0.808862D+01  0.150887D+02  0.238635D+02 -0.408742D+01 -0.118547D+02
      4   0.164302D+02 -0.180044D+02 -0.378330D+01 -0.257751D+01 -0.119961D+01
      5  -0.195648D+02  0.349638D+02 -0.103291D+02 -0.112339D+01 -0.752009D+01
      6   0.931289D+01 -0.811995D+01  0.587857D+01 -0.487138D+01 -0.612936D+01
               211           212           213           214           215 
      1   0.813169D+01 -0.824994D+01 -0.625830D+01  0.101985D+02 -0.403058D+01
      2  -0.387968D+01  0.487371D+01  0.377518D+01 -0.182608D+01  0.196191D+01
      3  -0.425202D+01  0.337623D+01  0.248311D+01 -0.837242D+01  0.206867D+01
      4   0.159071D+01  0.336621D+01  0.562851D+01  0.160184D+00  0.373811D+01
      5   0.696099D-01  0.462783D+01  0.263480D+00  0.568122D+00 -0.107560D+01
      6  -0.242208D+01  0.421193D+01  0.528760D+01 -0.368728D+01  0.431242D+01
               216           217           218           219           220 
      1  -0.112062D+02 -0.433585D+02  0.138534D+02  0.181198D+01  0.916050D+01
      2   0.152648D+01  0.289229D+02 -0.136166D+02 -0.199860D+01 -0.821919D+01
      3   0.967972D+01  0.144356D+02 -0.236825D+00  0.186620D+00 -0.941305D+00
      4  -0.121725D+01 -0.129576D+02 -0.365756D+01  0.341332D+01  0.200172D+01
      5   0.298665D+01  0.121824D+02  0.357316D+00 -0.597330D+01 -0.124419D+01
      6   0.260739D+01  0.480700D+00  0.324692D+01 -0.484548D+01  0.146090D+01
               221           222           223           224           225 
      1  -0.117858D+02  0.170576D+00  0.574950D+01 -0.286284D+01 -0.656274D+01
      2   0.134177D+02  0.647632D+00 -0.380487D+01  0.402437D+01  0.116110D+01
      3  -0.163191D+01 -0.818208D+00 -0.194462D+01 -0.116152D+01  0.540164D+01
      4   0.444892D+01  0.106345D+01  0.174834D+01  0.411237D+01 -0.160529D+01
      5   0.321091D+01 -0.419216D+00 -0.258123D+01  0.132477D+00 -0.241913D+01
      6  -0.111020D+01  0.953629D+00 -0.296916D+01  0.128739D+01 -0.361799D+00
               226           227           228           229           230 
      1   0.446204D+00  0.197679D+01 -0.904165D+01 -0.110877D+01  0.693760D+00
      2  -0.272329D+01  0.469502D+00  0.694651D+01  0.239735D+01 -0.217211D+01
      3   0.227709D+01 -0.244629D+01  0.209514D+01 -0.128859D+01  0.147835D+01
      4   0.285945D+01  0.641034D+01 -0.302301D+01  0.460417D+01  0.232356D+00
      5  -0.107811D+02 -0.127409D+01  0.133016D+02  0.837324D+00 -0.628035D+01
      6  -0.286953D+01 -0.131019D+01  0.175324D+01 -0.100054D+01 -0.483811D+00
               231           232           233           234           235 
      1   0.375712D+00 -0.847066D+01  0.196084D+01 -0.131026D+02  0.276930D+02
      2  -0.478943D+01  0.842483D+01 -0.352914D+01 -0.246777D+02 -0.917671D+00
      3   0.441372D+01  0.458310D-01  0.156831D+01  0.377803D+02 -0.267753D+02
      4  -0.531882D+01 -0.511222D+01 -0.871557D+01  0.400053D+01  0.402341D+02
      5  -0.824551D+01  0.165537D+02  0.349506D+01 -0.680207D+02 -0.365367D+01
      6   0.387590D+01  0.427228D+01  0.774699D+01 -0.244419D+02 -0.298075D+01
               236           237           238           239           240 
      1   0.205505D+02  0.215745D+01  0.183619D+02  0.107245D+02 -0.299871D+00
      2   0.440077D+01 -0.287297D-01  0.770800D+01  0.263010D+02  0.123519D+01
      3  -0.249513D+02 -0.212872D+01 -0.260700D+02 -0.370255D+02 -0.935320D+00
      4   0.426803D+02 -0.111868D+01  0.453247D+02  0.664669D+02 -0.506128D+00
      5  -0.541963D+01  0.914699D+01 -0.503240D+01 -0.402117D+01  0.671908D+01
      6  -0.456208D+01  0.522961D+01 -0.453555D+01 -0.758985D+01  0.592163D+01
               241           242           243           244           245 
      1   0.690071D+01  0.166834D+01  0.378931D+01  0.733556D+00  0.334165D+01
      2   0.126160D+00  0.513955D+01 -0.105591D+01 -0.415670D+01 -0.152228D+01
      3  -0.702687D+01 -0.680789D+01 -0.273340D+01  0.342314D+01 -0.181937D+01
      4   0.772083D+01  0.123745D+02  0.838915D+01  0.605803D+01  0.529811D+01
      5   0.775960D+01  0.678536D+01 -0.165650D+01 -0.122562D+02 -0.155827D+01
      6   0.453657D+01  0.498422D+01  0.174126D+00 -0.364084D+01 -0.521805D+00
               246           247           248           249           250 
      1  -0.681254D+01  0.414302D+01  0.150762D+00  0.205674D+01 -0.787581D+01
      2   0.526170D+01 -0.169931D+01 -0.198827D+00 -0.471841D+00  0.829532D+01
      3   0.155084D+01 -0.244372D+01  0.480645D-01 -0.158490D+01 -0.419513D+00
      4  -0.268359D+01  0.897656D+01  0.432018D+01 -0.734810D+01 -0.400833D+01
      5   0.121628D+02 -0.214887D+01 -0.737122D+01  0.845038D+01  0.167519D+02
      6   0.211971D+01 -0.180783D+01 -0.397414D+01  0.670072D+01  0.308136D+01
               251           252           253           254           255 
      1   0.221772D+01 -0.583244D+01 -0.810295D+02 -0.774526D+01  0.100043D+02
      2   0.534032D+00 -0.129160D+02  0.415098D+02  0.128607D+02 -0.602426D+01
      3  -0.275175D+01  0.187485D+02  0.395197D+02 -0.511545D+01 -0.398005D+01
      4  -0.977697D+01  0.873628D+01 -0.139091D+02  0.235197D+02  0.832409D+01
      5   0.727149D+01 -0.408013D+02  0.121299D+02  0.486916D+01  0.922943D+01
      6   0.607079D+01 -0.114673D+02  0.860507D+01  0.380439D+01  0.358539D+01
               256           257           258           259           260 
      1   0.135115D+02  0.348288D+02  0.383905D+00  0.270383D+02  0.189255D+01
      2  -0.172157D-01 -0.361659D+02 -0.636712D-01 -0.991168D+01  0.321479D+01
      3  -0.134943D+02  0.133707D+01 -0.320234D+00 -0.171267D+02 -0.510734D+01
      4   0.319391D+02 -0.178660D+02  0.106350D+02  0.200560D+02  0.178711D+02
      5   0.102747D+02  0.135757D+02  0.120386D+02  0.146983D+02  0.110197D+02
      6   0.622408D+01  0.367200D+01  0.611270D+01  0.714282D+01  0.662169D+01
               261           262           263           264           265 
      1   0.128161D+02  0.293925D+01 -0.549318D+01 -0.112653D+01 -0.351219D+01
      2   0.597925D+01  0.338112D+01 -0.303574D+01 -0.329610D+00 -0.703500D+01
      3  -0.187953D+02 -0.632038D+01  0.852892D+01  0.145614D+01  0.105472D+02
      4   0.144307D+02 -0.111966D+02  0.170891D+02  0.335052D+01  0.211859D+02
      5  -0.268705D+02 -0.394304D+01  0.454633D+01  0.293441D+01  0.556654D+01
      6  -0.842382D+01  0.298417D+01 -0.363127D+01 -0.136523D+01 -0.482726D+01
               266           267           268           269           270 
      1  -0.130471D+02 -0.358043D+01  0.442277D+00  0.316943D+00 -0.170455D+01
      2   0.378703D+02  0.523869D+01  0.216280D+01 -0.691826D+01  0.178461D+01
      3  -0.248231D+02 -0.165826D+01 -0.260507D+01  0.660132D+01 -0.800581D-01
      4  -0.557705D+02 -0.107123D+02 -0.346793D+01  0.880434D+01 -0.309738D+01
      5  -0.126838D+02 -0.962752D+01  0.164410D+01 -0.288321D+01 -0.253594D+01
      6   0.165948D+02  0.809338D+01 -0.909454D+00  0.341292D+01  0.184634D+01
               271           272           273           274           275 
      1   0.127349D+03  0.110521D+02 -0.525997D+01 -0.442460D+01  0.805043D+01
      2  -0.602992D+02 -0.176845D+01  0.221431D+01  0.561608D+01 -0.725237D+00
      3  -0.670500D+02 -0.928361D+01  0.304566D+01 -0.119148D+01 -0.732519D+01
      4   0.443904D+02  0.180002D+02 -0.370205D+00  0.134555D+02  0.578969D+01
      5   0.263125D+01  0.113275D+01  0.124822D+02 -0.997567D+00 -0.204790D+01
      6  -0.148064D+01  0.111991D+01  0.374104D+01  0.960392D-01 -0.435263D+00
               276           277           278           279           280 
      1   0.297057D+00 -0.168933D+02 -0.140154D+01  0.105004D+02  0.651811D-01
      2  -0.449824D+00  0.702119D+01 -0.797670D+00 -0.729579D+01  0.386382D+01
      3   0.152767D+00  0.987216D+01  0.219921D+01 -0.320463D+01 -0.392900D+01
      4  -0.234991D+01 -0.774635D+01 -0.550110D+01  0.244211D+01  0.432382D+01
      5  -0.166656D+01  0.144272D+02  0.193698D+00 -0.928577D+00 -0.261760D+01
      6  -0.926956D-01  0.397077D+01  0.697280D+00 -0.369856D+00 -0.908524D+00
               281           282           283           284           285 
      1   0.139339D+02 -0.159108D+01  0.997165D+01 -0.319955D+02 -0.205353D+00
      2  -0.140990D+02  0.108543D+01 -0.390567D+01  0.534348D+02 -0.782533D+00
      3   0.165108D+00  0.505656D+00 -0.606598D+01 -0.214393D+02  0.987886D+00
      4  -0.574981D+01 -0.184407D+01  0.947326D+01  0.528692D+02 -0.242445D+00
      5   0.443423D-01 -0.254943D+01  0.116727D+01 -0.277044D+01  0.575018D+01
      6  -0.133968D+01 -0.227884D+01  0.385887D-01  0.448892D+01  0.650496D+01
               286           287           288           289           290 
      1  -0.551731D+01  0.134865D+01 -0.619382D+01  0.676903D+01  0.642547D+00
      2   0.204761D+01 -0.485845D+01  0.516202D+01 -0.656648D+01 -0.177468D+01
      3   0.346969D+01  0.350981D+01  0.103180D+01 -0.202547D+00  0.113214D+01
      4  -0.427340D+01 -0.774621D+01  0.436566D+01 -0.858846D-01 -0.302088D+01
      5  -0.155418D+00  0.569606D+01  0.486175D+00  0.464552D+01 -0.959026D+00
      6  -0.561426D+00  0.705664D+01 -0.324802D+00  0.677893D+00 -0.126964D+01
               291           292           293           294           295 
      1   0.618336D+01 -0.563174D+01 -0.633043D+01 -0.807462D+00  0.102030D+02
      2  -0.272190D+01  0.210677D+01  0.324715D+01  0.324213D+01 -0.654452D+01
      3  -0.346146D+01  0.352497D+01  0.308328D+01 -0.243467D+01 -0.365848D+01
      4   0.692156D+00 -0.359985D+01 -0.300064D+01  0.311730D+01  0.556936D+01
      5   0.153957D+01 -0.228155D+01  0.292303D+01 -0.498642D+01  0.106918D+02
      6  -0.766956D+00 -0.657549D+00  0.323131D+00  0.181959D+01  0.233689D+01
               296           297 
      1  -0.109647D+01 -0.113266D+02
      2   0.319999D+01 -0.136376D+02
      3  -0.210353D+01  0.249641D+02
      4   0.898781D+01  0.479537D+00
      5   0.145216D+01  0.444456D+02
      6   0.477071D+01  0.170915D+02
 Leave Link  716 at Wed Sep  8 14:41:54 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208048D+03 -0.601070D+00  0.177908D+01
      2  -0.601070D+00  0.136432D+03 -0.793707D+01
      3   0.177908D+01 -0.793707D+01  0.152219D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.996232D+01 -0.825389D+01  0.227350D+02
      2   0.273912D+01 -0.699944D+01  0.486162D+02
      3  -0.110946D+03 -0.351794D+02  0.133694D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.155795D+03  0.515007D+02 -0.236444D+02
      2  -0.869600D+02 -0.311238D+02  0.358388D+02
      3  -0.688347D+02 -0.203769D+02 -0.121944D+02
      4  -0.302606D+02  0.720289D+02 -0.146427D+02
      5  -0.271893D+02 -0.212546D+02  0.108523D+03
      6   0.197110D+01  0.196465D+02 -0.293582D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.981965D+01  0.229509D+00  0.642382D+00  0.532524D+01  0.206382D+01
      2   0.229509D+00  0.110481D+01 -0.351534D-01  0.206382D+01  0.179476D+01
      3   0.642382D+00 -0.351534D-01  0.939509D+00 -0.409725D+00 -0.258780D+01
                 6             7             8             9            10 
      1  -0.409725D+00 -0.856326D+01  0.316672D+00 -0.296975D+00  0.278321D+02
      2  -0.258780D+01  0.316672D+00 -0.124089D+01 -0.974796D+00  0.175067D+01
      3  -0.223364D+01 -0.296975D+00 -0.974796D+00 -0.173631D+01 -0.128218D+01
                11            12            13            14            15 
      1   0.175067D+01 -0.128218D+01 -0.214536D+00  0.393389D+01  0.128669D+01
      2   0.195941D+01 -0.659962D+00  0.393389D+01 -0.107668D+01 -0.143422D+00
      3  -0.659962D+00  0.275629D+01  0.128669D+01 -0.143422D+00 -0.815687D+00
                16            17            18            19            20 
      1  -0.361604D+01  0.122279D+01  0.114414D+01  0.734722D+01 -0.417081D+00
      2   0.122279D+01  0.463174D-01 -0.990706D+00 -0.417081D+00 -0.904602D+00
      3   0.114414D+01 -0.990706D+00 -0.293946D+00 -0.500076D+00 -0.471655D+00
                21            22            23            24            25 
      1  -0.500076D+00  0.323227D+01 -0.153818D+01 -0.110038D+01 -0.118566D+02
      2  -0.471655D+00 -0.153818D+01  0.245105D+01 -0.202313D+01 -0.179419D-02
      3  -0.258639D+01 -0.110038D+01 -0.202313D+01 -0.869587D+00  0.341798D+00
                26            27            28            29            30 
      1  -0.179419D-02  0.341798D+00 -0.245294D+02 -0.482279D+00  0.103558D+01
      2  -0.873881D+00 -0.764522D+00 -0.482279D+00 -0.146347D+01  0.153953D+00
      3  -0.764522D+00 -0.137049D+01  0.103558D+01  0.153953D+00 -0.254799D+01
                31            32            33            34            35 
      1   0.278540D+01 -0.453672D+01 -0.149230D+01  0.289097D+01 -0.138498D+01
      2  -0.453672D+01  0.821927D+00  0.449973D+00 -0.138498D+01  0.131118D+00
      3  -0.149230D+01  0.449973D+00  0.120141D-01 -0.647929D+00 -0.767688D+00
                36            37            38            39            40 
      1  -0.647929D+00  0.114057D+02 -0.518761D+00 -0.978204D+00 -0.418570D+01
      2  -0.767688D+00 -0.518761D+00 -0.208110D+01  0.124708D+01 -0.153695D+01
      3   0.768626D+00 -0.978204D+00  0.124708D+01 -0.142916D+01  0.711035D-01
                41            42            43            44            45 
      1  -0.153695D+01  0.711035D-01  0.958433D+01 -0.156157D+01  0.390072D+00
      2  -0.250040D+01  0.214986D+01 -0.156157D+01  0.116057D+01  0.133241D+01
      3   0.214986D+01  0.214882D+01  0.390072D+00  0.133241D+01  0.147512D+01
                46            47            48            49            50 
      1  -0.849002D+01  0.616841D+00  0.739209D+00 -0.184191D+01  0.143213D+01
      2   0.616841D+00  0.141775D+01 -0.505975D+00  0.143213D+01 -0.348870D+01
      3   0.739209D+00 -0.505975D+00  0.284271D+01  0.173515D+01  0.195601D+01
                51            52            53            54            55 
      1   0.173515D+01  0.119008D+02  0.140208D+01 -0.722444D+00 -0.129651D+02
      2   0.195601D+01  0.140208D+01 -0.105062D+00  0.138365D+01 -0.294670D+01
      3   0.845171D+00 -0.722444D+00  0.138365D+01  0.703841D+00 -0.600214D+00
                56            57            58            59            60 
      1  -0.294670D+01 -0.600214D+00 -0.641769D+01 -0.707780D+01 -0.451491D+00
      2  -0.387974D+01 -0.483062D-01 -0.707780D+01  0.296786D+00 -0.201961D+01
      3  -0.483062D-01 -0.144351D+01 -0.451491D+00 -0.201961D+01  0.172053D+01
                61            62            63            64            65 
      1  -0.156606D+01 -0.550695D+00 -0.308723D+01 -0.434867D+01  0.456149D+01
      2  -0.550695D+00 -0.255671D+01  0.268797D+01  0.456149D+01  0.301458D+01
      3  -0.308723D+01  0.268797D+01  0.473607D+01  0.252615D+01 -0.209324D+00
                66            67            68            69            70 
      1   0.252615D+01  0.124882D+02  0.506761D+01 -0.533345D-01  0.532514D+01
      2  -0.209324D+00  0.506761D+01  0.154860D+01  0.318474D+01  0.629822D+00
      3   0.491073D+00 -0.533345D-01  0.318474D+01 -0.234772D+01  0.365399D-01
                71            72            73            74            75 
      1   0.629822D+00  0.365399D-01  0.285693D+01 -0.341163D+01 -0.264516D+01
      2   0.328490D+01 -0.221292D+01 -0.341163D+01 -0.334773D+01 -0.142888D+00
      3  -0.221292D+01 -0.419413D+01 -0.264516D+01 -0.142888D+00 -0.131399D+01
                76            77            78            79            80 
      1  -0.502106D+01 -0.439800D+01 -0.463175D-01 -0.318279D+01  0.188616D+00
      2  -0.439800D+01 -0.884997D+00 -0.417081D+01  0.188616D+00 -0.322727D+01
      3  -0.463175D-01 -0.417081D+01  0.243617D+01 -0.270238D+00  0.227106D+01
                81            82            83            84            85 
      1  -0.270238D+00  0.333522D+01 -0.390283D+01 -0.142574D+01 -0.548414D+01
      2   0.227106D+01 -0.390283D+01 -0.373753D+01  0.301598D+00 -0.367919D+01
      3   0.253163D+01 -0.142574D+01  0.301598D+00 -0.759298D+00 -0.144697D+00
                86            87            88            89            90 
      1  -0.367919D+01 -0.144697D+00 -0.199405D+01 -0.772633D+00 -0.645344D+00
      2  -0.233992D+01 -0.243945D+01 -0.772633D+00 -0.310073D+01  0.176500D+01
      3  -0.243945D+01  0.256285D+01 -0.645344D+00  0.176500D+01  0.597299D+01
                91            92            93            94            95 
      1   0.337950D+01  0.283086D+01  0.553249D+00  0.226921D+00  0.527871D+01
      2   0.283086D+01  0.166269D+01  0.857243D+00  0.527871D+01 -0.328319D+01
      3   0.553249D+00  0.857243D+00  0.138788D+01  0.168805D+01  0.830812D-02
                96            97            98            99           100 
      1   0.168805D+01  0.362291D+01  0.154664D+01  0.195957D+01  0.251491D+01
      2   0.830812D-02  0.154664D+01  0.179171D+01  0.188557D+01 -0.151732D+01
      3   0.139704D+01  0.195957D+01  0.188557D+01 -0.427484D+01  0.146337D+01
               101           102           103           104           105 
      1  -0.151732D+01  0.146337D+01 -0.165814D+01 -0.421101D+00 -0.138702D+01
      2   0.326432D+00 -0.803832D+00 -0.421101D+00  0.280495D+01  0.222292D+00
      3  -0.803832D+00  0.363853D+00 -0.138702D+01  0.222292D+00 -0.159465D+01
               106           107           108           109           110 
      1   0.214464D+01 -0.213363D+01  0.102272D+01 -0.510011D+01  0.200955D+01
      2  -0.213363D+01  0.168392D+01 -0.200972D+01  0.200955D+01 -0.158058D+01
      3   0.102272D+01 -0.200972D+01  0.303673D+01 -0.331236D+01  0.639738D+00
               111           112           113           114           115 
      1  -0.331236D+01  0.281255D+01 -0.244335D+01  0.125098D+01 -0.682958D+01
      2   0.639738D+00 -0.244335D+01  0.279221D+01 -0.226540D+01  0.265738D+01
      3  -0.184595D+01  0.125098D+01 -0.226540D+01  0.207837D+01 -0.295318D+01
               116           117           118           119           120 
      1   0.265738D+01 -0.295318D+01  0.962041D+00 -0.113866D-01  0.118947D+01
      2  -0.418444D+01  0.189778D+01 -0.113866D-01  0.194384D+01  0.414726D+00
      3   0.189778D+01 -0.727658D+01  0.118947D+01  0.414726D+00  0.294909D+00
               121           122           123           124           125 
      1  -0.191220D+00  0.184612D+01  0.209405D+00  0.286482D+01 -0.102647D+01
      2   0.184612D+01 -0.504962D+01  0.772248D+00 -0.102647D+01  0.279647D+01
      3   0.209405D+00  0.772248D+00  0.204912D+00 -0.757343D+00  0.236197D+01
               126           127           128           129           130 
      1  -0.757343D+00  0.216212D+01  0.748523D+00 -0.191049D+01  0.448521D+00
      2   0.236197D+01  0.748523D+00  0.405433D+00 -0.348015D+00  0.283963D+00
      3   0.440069D+01 -0.191049D+01 -0.348015D+00  0.188172D+01 -0.628164D+00
               131           132           133           134           135 
      1   0.283963D+00 -0.628164D+00 -0.216144D+01 -0.869727D+00  0.258237D+01
      2   0.517842D+00 -0.686932D+00 -0.869727D+00 -0.120579D+01  0.154608D+01
      3  -0.686932D+00  0.205652D+01  0.258237D+01  0.154608D+01 -0.706597D+01
               136           137           138           139           140 
      1  -0.387786D+01  0.121568D+01 -0.191709D+01  0.173256D+01 -0.628816D+00
      2   0.121568D+01 -0.849737D+00  0.589678D+00 -0.628816D+00  0.686606D+00
      3  -0.191709D+01  0.589678D+00 -0.169361D+01  0.109014D+01 -0.662634D+00
               141           142           143           144           145 
      1   0.109014D+01 -0.230976D+01  0.857939D+00 -0.242896D+01 -0.209393D+01
      2  -0.662634D+00  0.857939D+00 -0.124499D+01  0.146392D+01 -0.644646D+00
      3   0.170084D+01 -0.242896D+01  0.146392D+01 -0.441602D+01  0.206016D+01
               146           147           148           149           150 
      1  -0.644646D+00  0.206016D+01 -0.398895D+00 -0.240642D+00  0.693673D+00
      2  -0.401174D+00  0.609332D+00 -0.240642D+00 -0.716529D+00  0.957545D+00
      3   0.609332D+00 -0.215917D+01  0.693673D+00  0.957545D+00 -0.239382D+01
               151           152           153           154           155 
      1   0.204445D+01  0.101416D+01 -0.262670D+01  0.381821D+01 -0.100809D+01
      2   0.101416D+01  0.167366D+01 -0.241164D+01 -0.100809D+01  0.108249D+01
      3  -0.262670D+01 -0.241164D+01  0.740279D+01  0.248882D+01 -0.971470D+00
               156           157           158           159           160 
      1   0.248882D+01 -0.162623D+01  0.874462D+00 -0.131408D+01  0.249557D+01
      2  -0.971470D+00  0.874462D+00 -0.957757D+00  0.106257D+01 -0.121358D+01
      3   0.211401D+01 -0.131408D+01  0.106257D+01 -0.199486D+01  0.275036D+01
               161           162           163           164           165 
      1  -0.121358D+01  0.275036D+01  0.144842D+01 -0.431056D+00 -0.169678D+01
      2   0.179739D+01 -0.209163D+01 -0.431056D+00  0.891640D+00  0.449805D+00
      3  -0.209163D+01  0.474124D+01 -0.169678D+01  0.449805D+00  0.131557D+01
               166           167           168           169           170 
      1   0.965608D+00  0.151217D+01  0.510571D+00 -0.413237D+01  0.634983D+00
      2   0.151217D+01 -0.119996D+01 -0.130973D+01  0.634983D+00 -0.176920D+01
      3   0.510571D+00 -0.130973D+01 -0.135788D+01  0.284487D+01 -0.246708D+01
               171           172           173           174           175 
      1   0.284487D+01  0.319631D+01 -0.191214D+01  0.107772D+01 -0.255982D+01
      2  -0.246708D+01 -0.191214D+01  0.232346D+01 -0.358496D+00  0.322352D+01
      3  -0.672993D+01  0.107772D+01 -0.358496D+00  0.629692D+00 -0.539985D+00
               176           177           178           179           180 
      1   0.322352D+01 -0.539985D+00  0.394363D+01 -0.792251D+00  0.118122D+01
      2  -0.570815D+01  0.141121D+01 -0.792251D+00  0.254153D+01 -0.159968D+01
      3   0.141121D+01 -0.109264D+01  0.118122D+01 -0.159968D+01  0.899078D+00
               181           182           183           184           185 
      1   0.131090D+02 -0.157040D+01 -0.172828D+01 -0.306422D+01  0.122531D+01
      2  -0.157040D+01  0.110827D+01  0.209240D+00  0.122531D+01 -0.105947D+01
      3  -0.172828D+01  0.209240D+00  0.140465D+01  0.181738D+00 -0.738773D+00
               186           187           188           189           190 
      1   0.181738D+00 -0.227795D+01  0.560425D-01  0.202368D+01  0.434841D+01
      2  -0.738773D+00  0.560425D-01 -0.782097D+00  0.357093D-01  0.312152D+01
      3  -0.109249D+00  0.202368D+01  0.357093D-01 -0.358668D+00  0.223682D+01
               191           192           193           194           195 
      1   0.312152D+01  0.223682D+01  0.380739D+01  0.376244D+01  0.180704D+01
      2   0.282107D+01  0.123722D+01  0.376244D+01  0.502945D+01  0.255876D+01
      3   0.123722D+01  0.188604D+01  0.180704D+01  0.255876D+01  0.202202D+01
               196           197           198           199           200 
      1   0.138309D+01  0.949843D+00  0.162392D+01  0.134004D+01 -0.790869D+00
      2   0.949843D+00  0.141672D+01  0.129184D+01 -0.790869D+00  0.127906D+01
      3   0.162392D+01  0.129184D+01  0.141765D+01  0.166449D+01 -0.639858D+00
               201           202           203           204           205 
      1   0.166449D+01 -0.147009D+01  0.134311D+01 -0.122826D+01  0.159100D+01
      2  -0.639858D+00  0.134311D+01 -0.356110D+01  0.259455D+01 -0.676617D+00
      3   0.152250D+01 -0.122826D+01  0.259455D+01 -0.338901D+01  0.157380D+01
               206           207           208           209           210 
      1  -0.676617D+00  0.157380D+01 -0.677064D+01  0.438059D+00  0.770238D+00
      2   0.206728D+01 -0.218513D+01  0.438059D+00 -0.117267D+01 -0.733178D+00
      3  -0.218513D+01  0.391629D+01  0.770238D+00 -0.733178D+00 -0.196613D+01
               211           212           213           214           215 
      1   0.414722D+00 -0.695335D+00 -0.642113D+00  0.735021D+00 -0.432089D+00
      2  -0.695335D+00  0.911696D+00  0.892687D+00 -0.432089D+00  0.668477D+00
      3  -0.642113D+00  0.892687D+00  0.432311D+00 -0.100610D+01  0.160420D+00
               216           217           218           219           220 
      1  -0.100610D+01 -0.696058D+01  0.634625D+00  0.694726D+00  0.481614D+00
      2   0.160420D+00  0.634625D+00 -0.212507D+01  0.341324D+00 -0.132713D+01
      3   0.111614D+01  0.694726D+00  0.341324D+00 -0.108714D+01  0.192618D+00
               221           222           223           224           225 
      1  -0.132713D+01  0.192618D+00  0.904892D+00 -0.743539D-01 -0.622084D+00
      2   0.145964D+01  0.278097D+00 -0.743539D-01  0.756285D+00  0.149985D+00
      3   0.278097D+00  0.142269D+00 -0.622084D+00  0.149985D+00 -0.310142D+00
               226           227           228           229           230 
      1   0.268324D+00  0.391083D+00 -0.121594D+01  0.214903D-01  0.402560D+00
      2   0.391083D+00  0.587195D+00 -0.116608D+00  0.402560D+00 -0.794944D-01
      3  -0.121594D+01 -0.116608D+00  0.952687D+00  0.109838D-01 -0.777712D+00
               231           232           233           234           235 
      1   0.109838D-01 -0.148621D+01 -0.333447D+00  0.129287D+01  0.381638D+01
      2  -0.777712D+00 -0.333447D+00 -0.129752D+01  0.441790D+00  0.369694D+01
      3  -0.956237D+00  0.129287D+01  0.441790D+00 -0.896780D+01  0.300275D-01
               236           237           238           239           240 
      1   0.369694D+01  0.300275D-01  0.348793D+01  0.430784D+01 -0.119896D+00
      2   0.400283D+01 -0.221738D+00  0.430784D+01  0.736130D+01  0.342898D-02
      3  -0.221738D+00  0.948623D+00 -0.119896D+00  0.342898D-02  0.710343D+00
               241           242           243           244           245 
      1   0.968777D+00  0.683842D+00  0.891130D+00  0.243773D+00 -0.879451D+00
      2   0.683842D+00  0.147701D+01  0.808667D+00 -0.879451D+00 -0.491510D+00
      3   0.891130D+00  0.808667D+00 -0.174667D+00  0.146557D+01  0.100417D+00
               246           247           248           249           250 
      1   0.146557D+01 -0.124136D+01 -0.101617D+01  0.187763D+00  0.243758D+01
      2   0.100417D+00 -0.101617D+01 -0.567515D+00  0.115137D+01  0.200547D+00
      3  -0.117012D+01  0.187763D+00  0.115137D+01 -0.120505D+01 -0.191631D+01
               251           252           253           254           255 
      1   0.200547D+00 -0.191631D+01  0.782375D+01 -0.720461D+00 -0.192078D+01
      2   0.142516D+01 -0.103378D+01 -0.720461D+00 -0.326628D+01 -0.726416D+00
      3  -0.103378D+01  0.613484D+01 -0.192078D+01 -0.726416D+00 -0.973495D+00
               256           257           258           259           260 
      1  -0.467314D+01 -0.348927D+01 -0.113573D+01 -0.611192D+01 -0.149764D+01
      2  -0.348927D+01  0.403945D+01 -0.129454D+01 -0.149764D+01 -0.235881D+01
      3  -0.113573D+01 -0.129454D+01 -0.169955D+01 -0.148735D+01 -0.139779D+01
               261           262           263           264           265 
      1  -0.148735D+01 -0.851192D+00  0.128658D+01  0.442590D+00  0.154062D+01
      2  -0.139779D+01  0.128658D+01 -0.174391D+01 -0.405517D+00 -0.247432D+01
      3   0.378369D+01  0.442590D+00 -0.405517D+00 -0.364766D+00 -0.482904D+00
               266           267           268           269           270 
      1  -0.247432D+01 -0.482904D+00 -0.202619D+00  0.475350D+00 -0.190461D+00
      2   0.873891D+01  0.167794D+01  0.475350D+00 -0.127586D+01  0.517502D+00
      3   0.167794D+01  0.152461D+01 -0.190461D+00  0.517502D+00  0.448039D+00
               271           272           273           274           275 
      1  -0.148165D+02 -0.175209D+01  0.378279D+00  0.516980D+00 -0.119740D+01
      2  -0.175209D+01 -0.130586D+01 -0.111668D+00 -0.119740D+01 -0.433147D+00
      3   0.378279D+00 -0.111668D+00 -0.102938D+01  0.115704D+00  0.265096D+00
               276           277           278           279           280 
      1   0.115704D+00  0.225805D+01  0.460035D+00 -0.129063D+01 -0.360458D-02
      2   0.265096D+00  0.460035D+00  0.633509D+00  0.175023D-01 -0.894206D+00
      3   0.279490D+00 -0.129063D+01  0.175023D-01  0.756205D-01  0.344382D+00
               281           282           283           284           285 
      1  -0.894206D+00  0.344382D+00 -0.136745D+01 -0.239978D+00 -0.179142D-01
      2   0.192304D+01  0.200123D+00 -0.239978D+00 -0.858973D+01  0.249725D-01
      3   0.200123D+00  0.400299D+00 -0.179142D-01  0.249725D-01 -0.874667D+00
               286           287           288           289           290 
      1   0.103217D+01  0.308154D+00  0.988982D-01 -0.581067D+00  0.279476D+00
      2   0.308154D+00  0.112704D+01 -0.886707D+00  0.279476D+00  0.496949D+00
      3   0.988982D-01 -0.886707D+00 -0.110244D+00 -0.669952D+00  0.158589D+00
               291           292           293           294           295 
      1  -0.669952D+00  0.112759D+01  0.382690D+00  0.162712D+00 -0.183728D+01
      2   0.158589D+00  0.382690D+00  0.241170D+00 -0.501713D+00 -0.283430D+00
      3   0.238095D+00  0.162712D+00 -0.501713D+00  0.659961D+00 -0.808699D+00
               296           297 
      1  -0.283430D+00 -0.808699D+00
      2  -0.125580D+01 -0.225059D+00
      3  -0.225059D+00 -0.628132D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243809D+01 -0.215377D+01  0.139442D+01 -0.719295D+01 -0.185755D+01
      2   0.277411D+01 -0.257506D+01  0.971130D+01 -0.178219D+01  0.222605D+01
      3   0.167630D+02 -0.137845D+01  0.272593D+01  0.688117D+01 -0.198073D+01
                 6             7             8             9            10 
      1  -0.249713D+01 -0.700331D+00  0.182548D+01 -0.568764D-01 -0.393194D+01
      2  -0.308667D+01 -0.461693D+01 -0.102358D+01  0.218336D+01 -0.332998D+00
      3   0.264758D+01  0.133087D+02  0.400055D+00  0.228631D+01 -0.338119D+02
                11            12            13            14            15 
      1  -0.562127D+00  0.120413D+01  0.268645D+01  0.392947D+01 -0.826676D+01
      2   0.836975D+00 -0.231102D+01  0.418710D+01  0.660642D-01  0.229471D+00
      3  -0.206758D+01  0.105397D+01  0.102204D+02 -0.153597D+01 -0.104679D+01
                16            17            18            19            20 
      1  -0.402892D+01 -0.179878D+01 -0.422124D+01 -0.582007D+00  0.121264D+01
      2  -0.209813D+02 -0.145381D+01 -0.400986D+01 -0.329167D+01 -0.235595D+01
      3   0.738331D+00 -0.126310D+01 -0.292842D+00 -0.930204D+01 -0.169999D+01
                21            22            23            24            25 
      1  -0.129477D+01  0.557060D+01 -0.212738D+01 -0.345398D+01  0.487480D+01
      2   0.361365D+01 -0.388547D+01 -0.216953D+01  0.484563D+00 -0.267605D+01
      3   0.296790D+01  0.855776D+01  0.146460D+01 -0.240571D+01  0.163907D+02
                26            27            28            29            30 
      1   0.153217D+01 -0.161384D+01  0.182362D+01  0.796193D+00 -0.290781D+01
      2   0.716649D+00 -0.125872D+01  0.289990D+00  0.210736D+01 -0.298685D+01
      3  -0.585152D+00 -0.405387D+01  0.255371D+02  0.103167D+01 -0.265707D+01
                31            32            33            34            35 
      1  -0.137026D+01  0.461336D+01 -0.798240D+01 -0.557597D+01 -0.125081D+01
      2   0.450811D+01 -0.119084D+00  0.295380D+01 -0.224350D+02  0.318478D+01
      3   0.695880D+01  0.514910D+01  0.822505D+00 -0.583841D+01 -0.212657D+01
                36            37            38            39            40 
      1  -0.307510D+01 -0.296329D+01 -0.393754D+00 -0.114797D+01 -0.474370D+01
      2  -0.604982D+00 -0.226100D+01 -0.243618D+01  0.850044D+01 -0.331443D+01
      3   0.235445D+01 -0.132519D+02 -0.384477D+00  0.280878D+01  0.152665D+02
                41            42            43            44            45 
      1   0.168243D+01  0.666309D+00 -0.203228D+01  0.381930D+01  0.234616D+01
      2   0.145715D+01 -0.268617D+01 -0.711527D+01 -0.572041D+00  0.144746D+01
      3  -0.324365D+00  0.190848D+01 -0.913419D+01  0.353393D+01  0.116133D+01
                46            47            48            49            50 
      1   0.247265D+01  0.121519D+01  0.268950D+01  0.878047D+01  0.132848D+01
      2  -0.230080D-01 -0.229550D+01  0.348758D+01 -0.325820D+01 -0.173956D+01
      3   0.139425D+02 -0.204386D+01 -0.316965D+00  0.121005D+02  0.143302D+01
                51            52            53            54            55 
      1  -0.246948D+01  0.224990D+01  0.313928D+01 -0.161743D-01  0.183684D+01
      2   0.114795D+01 -0.452553D+01  0.473457D+00  0.398046D+00 -0.707806D+01
      3  -0.481162D+01 -0.124621D+02 -0.193626D+01 -0.128863D+01  0.232998D+02
                56            57            58            59            60 
      1   0.177774D+01 -0.208424D+00  0.411101D+01 -0.307781D+01  0.231567D+01
      2  -0.686193D+00 -0.279495D+01 -0.427194D+01 -0.122066D+02  0.771390D+01
      3   0.127295D+02  0.178943D+00  0.400503D+02  0.901436D+01  0.823844D+01
                61            62            63            64            65 
      1  -0.787005D+00  0.813618D+01  0.443757D+01 -0.200663D+01 -0.124213D+00
      2  -0.200263D+02  0.899609D+01  0.160859D+02  0.120614D+02  0.452453D-01
      3   0.360531D+01  0.104075D+02 -0.488580D+01 -0.282278D+02 -0.165332D+02
                66            67            68            69            70 
      1  -0.741723D+00 -0.319216D+01 -0.234874D+01 -0.300138D+01  0.260434D+01
      2   0.598986D+01  0.419301D+01  0.152104D+02 -0.107743D+02 -0.211339D+01
      3   0.153498D+01 -0.252063D+02 -0.774380D+01 -0.131594D+02 -0.495235D+01
                71            72            73            74            75 
      1   0.527981D+01  0.201810D+01 -0.227334D+01 -0.630509D+01  0.505741D+00
      2  -0.959075D+01 -0.175335D+02 -0.180105D+02  0.539794D+01  0.384096D+01
      3  -0.142975D+02  0.759034D+01  0.174473D+02  0.934183D+01 -0.225163D+01
                76            77            78            79            80 
      1  -0.900993D+01  0.177334D+01 -0.138361D+02  0.636958D+00 -0.651748D+01
      2   0.683495D+01 -0.101126D+02  0.104865D+02  0.333888D+01  0.943664D+01
      3   0.177198D+02  0.110740D+01  0.164679D+02 -0.272922D+01  0.129415D+02
                81            82            83            84            85 
      1   0.278374D+01  0.631433D+01  0.426976D+01  0.131840D+01  0.542867D+01
      2   0.121174D+02 -0.968621D-01 -0.399125D+01 -0.192564D+01 -0.669012D+01
      3  -0.931571D+01  0.244299D+02  0.359128D+01 -0.245262D+01  0.742734D+01
                86            87            88            89            90 
      1   0.887328D+01 -0.450292D+01  0.295075D+01  0.336461D+01 -0.157991D+02
      2  -0.137860D+02  0.101032D+02 -0.610836D+01  0.676380D+01  0.207215D+02
      3   0.120860D+01  0.100491D+02  0.225582D+00  0.112599D+02 -0.696877D+01
                91            92            93            94            95 
      1   0.918950D+00  0.135862D+00  0.177387D+01  0.208492D+01 -0.155798D+01
      2  -0.414000D+01 -0.319690D+01 -0.302342D+00 -0.386092D+01 -0.293238D+01
      3  -0.209765D+00 -0.717314D+00  0.243518D+01  0.307178D+02 -0.153474D+02
                96            97            98            99           100 
      1  -0.330047D+01  0.274310D+01  0.486872D+01 -0.157071D+01 -0.845237D+00
      2  -0.631980D+01 -0.157709D+02 -0.649910D+01  0.151817D+02  0.201005D+01
      3  -0.100388D+01  0.137308D+01  0.419612D+01  0.478492D+01  0.109720D+02
               101           102           103           104           105 
      1  -0.547273D+01 -0.471871D+01 -0.691283D+00 -0.173046D+00  0.217532D+01
      2   0.318401D+01  0.459291D+01  0.200616D+01  0.991968D+00  0.116496D+02
      3  -0.129810D+02 -0.448823D+01 -0.726577D+01  0.206350D+01  0.314428D+01
               106           107           108           109           110 
      1  -0.639409D+01  0.818508D+00 -0.400520D+01  0.444049D+01  0.280172D+01
      2  -0.298695D+01  0.824374D+01 -0.169269D+02  0.909182D+01 -0.270959D+01
      3  -0.833319D+01  0.119306D+02 -0.472293D+01 -0.653380D+00 -0.475793D+01
               111           112           113           114           115 
      1   0.389993D+01 -0.465907D+00  0.816086D+00 -0.665415D+01  0.405661D+01
      2   0.874342D+01 -0.753290D+00  0.757322D+01 -0.101144D+02  0.350293D+01
      3   0.383079D+00 -0.340608D+01  0.115988D+02 -0.772580D+01  0.979869D+01
               116           117           118           119           120 
      1   0.469601D+01  0.116074D+02 -0.356257D+01  0.303005D+01  0.176879D+00
      2  -0.577443D+01  0.286962D+02 -0.541581D+01 -0.766468D+00  0.146277D+00
      3  -0.176588D+02  0.493359D+01 -0.593567D+00  0.602433D+01  0.409592D+01
               121           122           123           124           125 
      1   0.112512D+01 -0.568342D+01 -0.319381D+01 -0.240925D+01  0.733381D+01
      2  -0.203674D+01 -0.440108D+01 -0.176853D+01 -0.250001D+01 -0.652975D+01
      3   0.694165D+01 -0.118450D+02  0.293241D+01 -0.179596D+01  0.821018D+01
               126           127           128           129           130 
      1  -0.660204D+01 -0.265593D+01 -0.227633D+01  0.115333D+01 -0.834356D+00
      2  -0.138880D+02  0.503764D+01  0.154293D+01 -0.152690D+01  0.771905D+00
      3   0.742101D+01 -0.639513D+00 -0.845763D+00  0.816660D+00  0.887475D+00
               131           132           133           134           135 
      1  -0.161500D+01  0.145401D-01  0.320018D+01  0.542435D+01 -0.532410D+01
      2   0.177385D+00  0.364084D+00 -0.487125D+01 -0.664483D+00 -0.185056D+01
      3  -0.300992D+00  0.177566D+00  0.101802D+01  0.215503D+01 -0.169278D+01
               136           137           138           139           140 
      1  -0.285525D+01  0.321611D+01 -0.821882D+00  0.114698D+01 -0.138638D+01
      2  -0.852772D+01  0.227414D+01 -0.147990D+01  0.255798D+01 -0.712021D+00
      3   0.800889D+00 -0.156521D+01  0.754227D+00  0.781829D+00  0.111452D+01
               141           142           143           144           145 
      1  -0.505059D+00 -0.186929D+01  0.398946D+01 -0.290958D+01  0.191413D+01
      2   0.138930D+00 -0.404644D+01  0.445674D+00  0.346367D+00  0.421628D+01
      3  -0.328049D+00  0.759843D+00 -0.246578D+01  0.176910D+01  0.304701D+01
               146           147           148           149           150 
      1  -0.949174D+00 -0.245145D+01  0.959109D+00  0.992914D-01 -0.370134D+01
      2   0.493710D+00 -0.131159D+01  0.284212D+00 -0.170548D-01  0.541758D+00
      3   0.117693D+00 -0.232626D+01  0.165554D+01 -0.230729D+00 -0.733375D+00
               151           152           153           154           155 
      1  -0.176839D+01  0.211144D+01  0.602705D+01  0.327857D+01  0.155699D+01
      2  -0.453311D+01 -0.501347D+00 -0.573518D+00 -0.533017D+01  0.170032D-01
      3  -0.257255D+01  0.539819D+00  0.232842D+01 -0.634635D+01 -0.104851D+01
               156           157           158           159           160 
      1   0.281061D+01 -0.136359D+01  0.502060D+00 -0.360682D+01  0.289295D+01
      2  -0.643282D+00  0.939172D+00  0.748975D-01 -0.134757D+01 -0.252893D+01
      3  -0.284023D+01  0.345499D+01  0.436669D+00  0.902731D+00 -0.303708D+01
               161           162           163           164           165 
      1   0.120919D+01  0.471614D+01 -0.135493D+01 -0.428838D+00  0.131317D+01
      2  -0.417487D+00  0.185608D+01 -0.607887D+01  0.674012D+00  0.487751D+01
      3  -0.142849D+01 -0.178917D+01 -0.105565D+01 -0.377867D+01  0.816543D+00
               166           167           168           169           170 
      1  -0.212470D+00 -0.108542D+00 -0.197019D+01  0.278030D+01  0.828631D+00
      2   0.176422D+01 -0.341200D+01 -0.460479D+01  0.472213D+01 -0.861500D+01
      3  -0.481316D+01  0.223118D+01  0.318090D+01  0.318444D+01  0.532127D+01
               171           172           173           174           175 
      1  -0.737089D+01  0.194436D+01 -0.148474D+01  0.162953D+01 -0.258339D+01
      2  -0.226214D+02  0.654564D+01 -0.241242D+01  0.444382D+01 -0.290479D+01
      3   0.406634D+01  0.261760D+01 -0.675466D+01  0.150380D-01 -0.538097D+01
               176           177           178           179           180 
      1   0.428846D+01 -0.462795D+01  0.170680D+01 -0.237308D+01  0.285538D+01
      2   0.749145D+01 -0.528723D+01  0.401119D+01 -0.659627D+01  0.404108D+01
      3   0.157047D+02 -0.393494D+01 -0.271680D+01 -0.828365D+01  0.388990D+01
               181           182           183           184           185 
      1   0.344008D+00 -0.528499D+00 -0.219137D+00  0.502243D-01  0.512104D+00
      2  -0.398167D+01  0.511334D+00  0.880651D+01 -0.139394D+00 -0.331594D+01
      3   0.651238D+01 -0.796365D+01 -0.877741D+00 -0.256356D+01  0.491244D+01
               186           187           188           189           190 
      1  -0.941895D+00 -0.507822D+00  0.107034D+01 -0.124988D+00  0.353979D+01
      2  -0.213216D+00  0.654506D+01  0.293223D+00 -0.920127D+00  0.225523D+01
      3   0.352011D+01  0.146833D+00  0.413536D+01 -0.387209D+00 -0.926439D+01
               191           192           193           194           195 
      1   0.496331D+01 -0.478252D+00  0.549851D+01  0.733943D+01  0.446010D+00
      2   0.472825D-02  0.600225D+01 -0.521931D-01  0.471613D+01  0.671622D+01
      3  -0.110459D+02 -0.344608D+01 -0.105641D+02 -0.189510D+02 -0.924888D+01
               196           197           198           199           200 
      1   0.992289D+00  0.288560D+01  0.683252D+00 -0.259663D+01  0.306465D+01
      2   0.275271D+01  0.324512D+01  0.353975D+01  0.561520D+01 -0.110170D+01
      3  -0.206204D+01 -0.554502D+01 -0.416098D+01  0.311651D+01 -0.601849D+01
               201           202           203           204           205 
      1  -0.178210D+01  0.276107D+01 -0.998861D+01  0.522229D+01 -0.206476D+01
      2   0.450407D+01 -0.101582D+01  0.897739D+01 -0.128570D+02  0.152315D+01
      3   0.313048D+01 -0.343332D+01  0.155050D+02 -0.102589D+02  0.250110D+01
               206           207           208           209           210 
      1   0.761509D+01 -0.570895D+01 -0.157203D+01 -0.239382D+01  0.129951D+01
      2  -0.815808D+01  0.136020D+02  0.206419D+02 -0.327291D+01 -0.797039D+01
      3  -0.872705D+01  0.898798D+01 -0.957617D+01  0.318593D+01  0.366950D+01
               211           212           213           214           215 
      1  -0.149131D+01  0.325478D+00  0.641807D-01  0.889146D+00  0.201407D+01
      2  -0.260399D+01  0.540096D+01  0.244909D+01 -0.871999D+01  0.136121D+01
      3   0.473802D+01 -0.335379D+01 -0.375404D+01  0.247458D+01 -0.231427D+01
               216           217           218           219           220 
      1  -0.465961D+00 -0.977274D+00  0.181717D+01  0.257698D+01  0.155136D+01
      2   0.565379D+01 -0.777426D+01  0.186047D+01 -0.110731D+01  0.151107D+01
      3  -0.172890D+01 -0.216025D+02  0.688960D+01  0.347954D+00  0.748266D+01
               221           222           223           224           225 
      1  -0.167924D+01 -0.122583D+01  0.210145D+01  0.367291D+00  0.214107D-01
      2  -0.936198D+00 -0.290869D+00 -0.340939D+01 -0.164382D+00 -0.176163D+01
      3  -0.724369D+01 -0.959855D+00  0.165546D+01 -0.287802D+01 -0.188937D+01
               226           227           228           229           230 
      1   0.170259D+01 -0.571142D+00 -0.129803D+01 -0.273107D+00  0.188985D+01
      2  -0.502207D+01 -0.361273D+00  0.260475D+01 -0.659978D+00 -0.242912D+01
      3  -0.228073D+01 -0.245367D+01 -0.118220D+01 -0.454130D+00  0.131494D+01
               231           232           233           234           235 
      1   0.192730D+01 -0.132500D+01  0.452226D+01  0.161947D+02 -0.451990D+01
      2  -0.390101D+01 -0.601100D+00  0.814446D+00 -0.316303D+02  0.401189D+01
      3   0.241363D+01 -0.114499D+01  0.454292D+01 -0.157564D+01 -0.704580D+01
               236           237           238           239           240 
      1  -0.446812D+01 -0.302823D+01 -0.545024D+01 -0.860981D+01 -0.387995D+01
      2   0.280391D+01  0.532543D+01  0.353598D+01  0.435774D+01  0.358171D+01
      3  -0.104494D+02  0.128404D+01 -0.688104D+01 -0.213857D+02 -0.701285D-01
               241           242           243           244           245 
      1  -0.236175D+01 -0.205562D+01 -0.844561D+00  0.349849D+00 -0.369123D+00
      2   0.367837D+01  0.333907D+01  0.225214D+00 -0.558723D+01  0.976541D-02
      3  -0.556660D+00 -0.496445D+01 -0.167061D+01 -0.266524D+01 -0.171696D+01
               246           247           248           249           250 
      1  -0.816270D+00 -0.162919D+00  0.133745D+00 -0.772287D+00 -0.128331D+01
      2   0.359775D+01  0.270439D+00 -0.279112D+01  0.413800D+01  0.129478D+01
      3  -0.565444D+00 -0.870473D+00 -0.105152D+01  0.301447D+01 -0.113313D+01
               251           252           253           254           255 
      1   0.264632D+01  0.320187D+01 -0.223937D+01  0.985969D+00 -0.217687D+01
      2   0.350294D+01 -0.189478D+02  0.151589D+02  0.347011D+01  0.613287D+01
      3   0.365440D+01 -0.196977D+01 -0.163660D+02 -0.141653D+02  0.290920D+00
               256           257           258           259           260 
      1  -0.147543D+01 -0.616575D+01 -0.393975D+01 -0.510047D+00  0.143365D+01
      2   0.432695D+01  0.469467D+01  0.598613D+01  0.347578D+01  0.506942D+01
      3  -0.519039D+01  0.215801D+02 -0.342164D+01  0.134995D+01 -0.598045D+01
               261           262           263           264           265 
      1   0.889336D+01  0.809413D+00 -0.155009D+01  0.394283D+00 -0.244639D+01
      2  -0.184228D+02 -0.620018D+00  0.109825D+00  0.862286D+00 -0.207347D+00
      3  -0.458963D+01  0.266178D+01 -0.376829D+01 -0.161395D+01 -0.320444D+01
               266           267           268           269           270 
      1   0.897600D+01 -0.156158D+01  0.456012D+00 -0.134936D+01  0.763626D+00
      2  -0.305381D+01 -0.452982D+01  0.191442D+00 -0.164020D+01 -0.951126D+00
      3   0.253688D+02  0.482582D+01  0.112425D+01 -0.417640D+01  0.155933D+01
               271           272           273           274           275 
      1   0.116202D+01  0.513540D+00 -0.204160D+01  0.901809D+00  0.626614D+00
      2  -0.840331D+01 -0.209883D+00  0.754308D+01 -0.773037D+00 -0.161373D+01
      3   0.155593D+02 -0.561565D+01 -0.118268D+01 -0.416115D+01  0.173743D+00
               276           277           278           279           280 
      1  -0.942121D-01 -0.220906D+01  0.703032D+00 -0.917453D-01  0.147509D+01
      2  -0.844623D+00  0.479334D+01 -0.353322D+00 -0.472514D+00 -0.122228D+01
      3   0.101853D+01 -0.146638D+01  0.191240D+01  0.213300D+01 -0.531902D+01
               281           282           283           284           285 
      1  -0.745940D+00  0.151667D+01 -0.328401D+00  0.519714D+01 -0.391916D+01
      2  -0.957253D+00 -0.118665D+01 -0.773366D+00 -0.802078D-01  0.298471D+01
      3   0.765789D+01 -0.279152D+00  0.456717D+01 -0.310937D+02  0.562458D+00
               286           287           288           289           290 
      1   0.701012D+00 -0.133611D+01  0.438944D+00 -0.182848D+01 -0.579398D+00
      2  -0.158797D+01  0.303828D+01  0.548943D+00  0.436582D+01  0.184824D-01
      3  -0.122426D+01  0.366033D+01 -0.332163D+01  0.180291D+01  0.961340D+00
               291           292           293           294           295 
      1   0.476271D+00 -0.246927D+00 -0.256079D+01  0.949465D+00 -0.307605D+00
      2  -0.165638D+01  0.129196D+01  0.241263D+01 -0.304361D+01 -0.171243D+01
      3   0.113860D+01  0.102225D+01  0.705350D+00 -0.207638D+01  0.150441D+01
               296           297 
      1   0.326954D+01 -0.111561D+02
      2  -0.687638D-01  0.248414D+02
      3  -0.417034D+01  0.103819D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192833D+01 -0.822263D+01  0.202992D+02  0.122544D+02 -0.959681D+00
      2   0.665868D+01  0.369899D+01 -0.773438D+01 -0.321250D+01  0.258154D+01
      3  -0.858701D+01  0.452364D+01 -0.125648D+02 -0.904186D+01 -0.162185D+01
      4  -0.727032D+00  0.255683D+01 -0.702269D+00  0.854001D+01  0.520095D+01
      5   0.214598D+02 -0.152878D+00 -0.765816D+01 -0.933530D+01 -0.340386D+01
      6  -0.680453D+00 -0.329124D+01  0.225526D+01 -0.165757D+01  0.392493D+01
                 6             7             8             9            10 
      1  -0.181777D+02 -0.195830D+02 -0.955138D+01  0.562888D+01  0.455448D+02
      2   0.197406D+01  0.319987D+01  0.246751D+01  0.380499D+01 -0.221901D+02
      3   0.162037D+02  0.163832D+02  0.708387D+01 -0.943387D+01 -0.233548D+02
      4  -0.412245D+01  0.401927D+01 -0.204385D+01 -0.465931D+01 -0.886582D+01
      5  -0.299364D+01  0.972246D+01 -0.420524D+01  0.551309D+01 -0.940850D+01
      6   0.119998D+02 -0.667463D+01  0.503457D+01  0.140116D+02  0.319296D+01
                11            12            13            14            15 
      1   0.837821D+01 -0.201534D+01  0.144645D+02 -0.272977D+01  0.616348D+01
      2  -0.760529D+01  0.348467D+01 -0.128642D+02  0.740541D+01 -0.817682D+00
      3  -0.772917D+00 -0.146932D+01 -0.160027D+01 -0.467564D+01 -0.534580D+01
      4   0.284459D+01 -0.309965D+01  0.158095D+02 -0.628316D+01 -0.675195D+00
      5  -0.378161D+01  0.872308D+01  0.128596D+02 -0.179538D+00 -0.291889D+01
      6   0.759459D+00 -0.634863D+01 -0.452088D+01  0.418952D+01  0.870588D+01
                16            17            18            19            20 
      1  -0.906368D+01  0.581368D+01 -0.206630D+02 -0.247694D+01  0.490244D+01
      2  -0.174935D+01  0.431527D+01  0.382618D+01 -0.235453D+01 -0.185543D+01
      3   0.108130D+02 -0.101289D+02  0.168368D+02  0.483147D+01 -0.304701D+01
      4   0.135879D+02  0.199877D+00 -0.418089D+01  0.368816D+01 -0.683834D+00
      5  -0.151348D+02 -0.352789D+01 -0.290352D+01 -0.190189D+02  0.285382D+01
      6  -0.538390D+01  0.264344D+01 -0.427241D+01  0.375896D+01  0.470834D+01
                21            22            23            24            25 
      1  -0.237175D+02 -0.829858D+01 -0.538153D+01 -0.509075D+01  0.215229D+02
      2   0.677156D+01 -0.204738D+01  0.665989D+01  0.279310D-01  0.374111D+00
      3   0.169460D+02  0.103460D+02 -0.127836D+01  0.506282D+01 -0.218970D+02
      4   0.279666D+01  0.352072D+01 -0.592386D+00  0.318396D+01  0.415677D+01
      5  -0.716773D+00  0.146535D+01  0.106150D+01  0.720251D+01  0.134470D+02
      6   0.404667D+01  0.327907D+01  0.220725D+01  0.672555D+01  0.100684D+02
                26            27            28            29            30 
      1  -0.880160D+01  0.794467D+01  0.119703D+02 -0.406387D+00  0.115568D+01
      2   0.195224D+01 -0.258186D+01 -0.101655D+01  0.470331D+01  0.418902D+00
      3   0.684936D+01 -0.536281D+01 -0.109537D+02 -0.429692D+01 -0.157458D+01
      4   0.329181D+01  0.649923D+01  0.241829D+02  0.169975D+01 -0.144870D+01
      5   0.512538D+01 -0.563934D+01  0.433347D+01 -0.940169D+00  0.622813D+01
      6   0.139083D+01  0.104060D+02  0.279114D+01 -0.109732D+01  0.407186D+01
                31            32            33            34            35 
      1  -0.771432D+00 -0.150425D+01  0.765343D+01 -0.839128D+01  0.951232D+01
      2   0.624594D+01  0.455545D+01 -0.229984D+01  0.108034D+01  0.234537D+01
      3  -0.547451D+01 -0.305120D+01 -0.535359D+01  0.731094D+01 -0.118577D+02
      4   0.135462D+02 -0.108084D+00  0.165085D+01  0.106410D+02  0.452655D+01
      5   0.116592D+02  0.997835D+00  0.386964D+00 -0.183001D+02  0.190310D+01
      6  -0.814097D+00  0.377389D+01  0.588776D+01 -0.152870D+01  0.206537D+01
                36            37            38            39            40 
      1  -0.196054D+02  0.773095D+01 -0.129674D+02  0.205741D+02  0.355182D+01
      2   0.366905D+01  0.898786D+00  0.114344D+02 -0.113501D+02  0.494113D+01
      3   0.159363D+02 -0.862973D+01  0.153306D+01 -0.922398D+01 -0.849295D+01
      4   0.933192D+00 -0.105995D+02 -0.736436D+00  0.316846D+01  0.141364D+02
      5  -0.689587D+00  0.122944D+02  0.202600D+01 -0.105688D+02 -0.328558D+01
      6  -0.737859D+01 -0.348089D+00 -0.501850D+01  0.583714D+01 -0.334906D+00
                41            42            43            44            45 
      1  -0.960700D+01 -0.817873D+01 -0.160110D+02 -0.521683D+01  0.938714D+01
      2   0.158784D+02 -0.914099D+01  0.123960D+01 -0.273826D+01 -0.973330D+00
      3  -0.627141D+01  0.173197D+02  0.147714D+02  0.795509D+01 -0.841381D+01
      4   0.626245D+01 -0.249747D+01 -0.386305D+01 -0.143301D+01 -0.623490D+01
      5  -0.127857D+01 -0.132990D+01  0.665521D+01 -0.526999D+01  0.827551D+01
      6  -0.549429D+01  0.422988D+01 -0.894917D+01  0.223081D+00  0.912358D+01
                46            47            48            49            50 
      1  -0.659016D+01  0.101942D+02 -0.224686D+02 -0.199814D+01 -0.131326D+02
      2   0.143108D+01 -0.713663D+01  0.680936D+01 -0.733631D+01  0.220294D+02
      3   0.515908D+01 -0.305757D+01  0.156592D+02  0.933445D+01 -0.889678D+01
      4   0.118538D+02 -0.345735D+00  0.473106D+01  0.832459D+01 -0.663242D+01
      5  -0.120877D+02  0.512581D+01 -0.867531D+00  0.871792D+01  0.257477D+01
      6   0.384989D+01  0.386605D+01 -0.444199D+01 -0.123838D+01 -0.492655D+01
                51            52            53            54            55 
      1   0.508767D+01  0.334772D+02 -0.378966D+01  0.117990D+02 -0.266652D+02
      2  -0.109789D+02 -0.971962D+01 -0.211282D+00 -0.666679D+01  0.124726D+02
      3   0.589124D+01 -0.237576D+02  0.400094D+01 -0.513224D+01  0.141926D+02
      4   0.147542D+01 -0.405678D+01  0.109975D+00  0.755501D+01 -0.846589D+01
      5   0.731370D+01  0.574626D+01  0.670837D+01 -0.533237D+01 -0.556362D+01
      6   0.383415D+01  0.110871D+02 -0.346623D+01  0.733858D+01  0.128437D+01
                56            57            58            59            60 
      1  -0.124868D+02 -0.633967D+01 -0.330947D+02 -0.259312D+02  0.709095D+00
      2   0.937012D+01  0.695425D+00  0.243820D+02  0.581671D+01  0.629150D+01
      3   0.311664D+01  0.564425D+01  0.871271D+01  0.201145D+02 -0.700060D+01
      4  -0.278706D+02  0.417816D+00 -0.475446D+02  0.126549D+02 -0.151935D+02
      5   0.587255D-01 -0.114885D+02 -0.146315D+01 -0.145892D+02  0.138011D+02
      6   0.658249D+00  0.196980D+01  0.105380D+01  0.391043D+01 -0.465526D+01
                61            62            63            64            65 
      1  -0.148202D+02  0.660025D+00 -0.179365D+01 -0.860164D+02  0.309085D+02
      2  -0.112267D+01  0.799432D+01  0.661062D+01  0.467165D+02 -0.142103D+02
      3   0.159429D+02 -0.865435D+01 -0.481696D+01  0.392999D+02 -0.166982D+02
      4  -0.949907D+00 -0.191288D+02  0.241555D+02  0.296332D+02  0.232333D+02
      5  -0.231544D+02  0.208263D+02  0.359005D+02  0.255466D+02 -0.246683D+01
      6   0.100434D+02 -0.546333D+01 -0.117760D+02  0.654952D+00 -0.256417D+01
                66            67            68            69            70 
      1   0.249086D+02  0.632930D+02  0.254126D+02 -0.765899D+01  0.360415D+02
      2  -0.137882D+02 -0.300208D+02 -0.127326D+02  0.766122D+01 -0.151371D+02
      3  -0.111204D+02 -0.332722D+02 -0.126799D+02 -0.223175D-02 -0.209045D+02
      4  -0.119512D+01  0.310045D+02  0.843417D+01  0.230727D+02  0.225321D+01
      5   0.469591D+01 -0.225676D+01  0.243683D+02 -0.192000D+02 -0.129879D+01
      6   0.115811D+01  0.124412D+01  0.583989D+01 -0.422939D+01 -0.261579D+01
                71            72            73            74            75 
      1  -0.433828D+01  0.160169D+01  0.348822D+02 -0.236189D+02 -0.206701D+02
      2   0.743743D+01 -0.394911D+00 -0.178210D+02  0.579530D+01  0.111526D+02
      3  -0.309915D+01 -0.120678D+01 -0.170611D+02  0.178236D+02  0.951750D+01
      4   0.220930D+02 -0.158991D+02 -0.225294D+02 -0.314792D+02 -0.564330D+01
      5  -0.165186D+02 -0.324956D+02 -0.130783D+02 -0.806931D+01 -0.174101D+02
      6  -0.493316D+01 -0.464522D+01 -0.148008D+02 -0.929685D+01 -0.509354D+00
                76            77            78            79            80 
      1  -0.319587D+02 -0.274385D+02 -0.957978D+00 -0.247002D+02  0.129906D+01
      2   0.809048D+01  0.182711D+02 -0.109566D+02  0.120634D+02 -0.110605D+02
      3   0.238682D+02  0.916742D+01  0.119146D+02  0.126368D+02  0.976143D+01
      4  -0.408426D+02 -0.103499D+02 -0.358361D+02 -0.203354D+01 -0.269909D+02
      5  -0.876411D+01 -0.424901D+02  0.198930D+02 -0.100940D+02  0.188446D+02
      6  -0.143425D+02 -0.499524D+01 -0.108208D+02  0.188393D+01 -0.878797D+01
                81            82            83            84            85 
      1  -0.935940D+01  0.356047D+02 -0.217135D+02 -0.122135D+02 -0.307170D+02
      2  -0.429940D+00 -0.351414D+02 -0.289514D-01  0.602958D+01  0.231551D+01
      3   0.978934D+01 -0.463325D+00  0.217424D+02  0.618392D+01  0.284015D+02
      4   0.163612D+02 -0.185643D+02 -0.383069D+02 -0.884609D+00 -0.388771D+02
      5   0.148285D+02 -0.149106D+02  0.591469D+01 -0.399682D+01  0.390879D+01
      6   0.123702D+02  0.786579D+00  0.428446D+01 -0.260620D+01  0.275626D+01
                86            87            88            89            90 
      1  -0.264642D+02  0.843861D+01 -0.137904D+02  0.319707D+01  0.180629D+01
      2   0.544991D+00 -0.659189D+01  0.188204D+01 -0.776164D+01  0.223690D+02
      3   0.259192D+02 -0.184671D+01  0.119084D+02  0.456457D+01 -0.241753D+02
      4  -0.294157D+02 -0.155347D+02 -0.100366D+02 -0.220511D+02  0.101432D+02
      5  -0.135022D+02  0.189722D+02 -0.311830D+01  0.130280D+02  0.472602D+02
      6  -0.663910D+01  0.100224D+02 -0.126507D+01  0.946321D+01  0.112671D+02
                91            92            93            94            95 
      1   0.123684D+02 -0.696824D+01 -0.292441D+01 -0.124629D+02 -0.157140D+02
      2  -0.877397D+01 -0.402686D+00 -0.245385D+00  0.557222D+01  0.694465D+01
      3  -0.359447D+01  0.737092D+01  0.316980D+01  0.689067D+01  0.876939D+01
      4  -0.222291D+02 -0.138334D+02 -0.707758D+01 -0.361001D+02  0.143244D+02
      5  -0.842299D+01 -0.621133D+01 -0.841779D+01 -0.115141D+02 -0.254913D+01
      6  -0.387484D+01 -0.197668D+01 -0.379997D+01 -0.194829D+01 -0.461626D+01
                96            97            98            99           100 
      1  -0.621337D+01 -0.159185D+02 -0.801184D+01 -0.185753D+01 -0.559967D+01
      2   0.176188D+00  0.667159D+00 -0.826451D+00  0.746722D+01  0.597171D+00
      3   0.603718D+01  0.152513D+02  0.883829D+01 -0.560969D+01  0.500250D+01
      4  -0.198551D+01 -0.170893D+02 -0.128588D+02 -0.152992D+02  0.120745D+02
      5  -0.124136D+02 -0.150902D+02 -0.140831D+02  0.299094D+02 -0.152982D+02
      6  -0.238794D+01 -0.734318D+01 -0.282310D+01  0.855314D+01  0.545500D+01
               101           102           103           104           105 
      1   0.533704D+01 -0.724361D+01  0.185360D+02  0.296028D+01  0.922259D+01
      2   0.162633D+00  0.507606D+01 -0.121573D+02  0.360781D+00 -0.266030D+01
      3  -0.549967D+01  0.216755D+01 -0.637872D+01 -0.332106D+01 -0.656229D+01
      4  -0.313758D+01  0.669695D+01 -0.426143D+01 -0.114440D+02 -0.351801D+01
      5   0.582225D+01 -0.282527D+01  0.785082D+01 -0.338218D+01  0.216848D+02
      6  -0.581579D+01  0.564326D+01 -0.186292D+01 -0.758963D+00 -0.147436D+02
               106           107           108           109           110 
      1  -0.210048D+02  0.886135D+01 -0.419304D+01  0.418047D+02 -0.123333D+02
      2   0.779134D+01  0.231402D+01  0.216881D+01 -0.195068D+02  0.344803D+01
      3   0.132135D+02 -0.111754D+02  0.202423D+01 -0.222979D+02  0.888527D+01
      4   0.179409D+02 -0.165008D+02  0.180158D+02 -0.242736D+02  0.209161D+02
      5  -0.169682D+02  0.153852D+02 -0.236987D+02  0.291996D+02 -0.596178D+01
      6   0.100761D+02 -0.165605D+02  0.671141D+01 -0.110714D+02  0.403104D+01
               111           112           113           114           115 
      1   0.227845D+02 -0.149597D+02  0.314194D+01 -0.156075D+01  0.358414D+02
      2  -0.132921D+02  0.174719D+01  0.936527D+01 -0.187095D+01 -0.174524D+02
      3  -0.949240D+01  0.132125D+02 -0.125072D+02  0.343169D+01 -0.183890D+02
      4  -0.100679D+02  0.258704D+02 -0.240201D+02  0.177825D+02 -0.226528D+02
      5   0.218060D+02 -0.117931D+02  0.169369D+02 -0.189758D+02  0.332131D+02
      6  -0.780667D+01  0.612007D+01 -0.118481D+02  0.181485D+02 -0.110304D+02
               116           117           118           119           120 
      1  -0.244768D+01  0.992979D+01 -0.268539D+00 -0.918237D+01 -0.119291D+02
      2  -0.465553D+01 -0.135659D+02 -0.262460D+01  0.112189D+02  0.732809D+01
      3   0.710322D+01  0.363615D+01  0.289314D+01 -0.203655D+01  0.460102D+01
      4   0.303172D+02 -0.176479D+02  0.125822D+01 -0.470429D+01  0.361133D+01
      5  -0.157649D+02  0.555089D+02 -0.743510D+01 -0.757755D+00  0.586107D+01
      6   0.159951D+02 -0.278379D+02  0.365495D+01  0.530887D+01  0.145188D+01
               121           122           123           124           125 
      1  -0.348967D+01 -0.446078D+01 -0.539629D+01 -0.107776D+02 -0.847474D+01
      2   0.109570D+02 -0.141212D+02  0.218668D+01  0.580433D+01  0.804192D+01
      3  -0.746732D+01  0.185820D+02  0.320961D+01  0.497324D+01  0.432818D+00
      4  -0.680117D+01  0.350726D+02 -0.315324D+01  0.113859D+02 -0.161954D+02
      5   0.154769D+01 -0.243060D+01 -0.408203D+01  0.149793D+02 -0.151159D+02
      6   0.290972D+01  0.158183D+01  0.101500D+02 -0.526864D+01  0.196704D+02
               126           127           128           129           130 
      1  -0.105064D+02  0.252948D+00  0.939829D+00  0.235935D+01 -0.192103D+01
      2  -0.598402D+01 -0.545825D+01 -0.162770D+01  0.533387D+01 -0.894907D+00
      3   0.164904D+02  0.520531D+01  0.687872D+00 -0.769322D+01  0.281594D+01
      4  -0.134600D+02  0.197972D+01  0.272558D+01 -0.811755D+00  0.195373D+01
      5  -0.303136D+02 -0.927248D+01 -0.258219D+01  0.113137D+02 -0.269090D+01
      6   0.219744D+02  0.234651D+00 -0.174269D+01 -0.114364D+01 -0.143859D+01
               131           132           133           134           135 
      1  -0.294429D+01  0.691557D+01  0.344917D+01  0.384116D+01 -0.227276D+02
      2  -0.993848D+00  0.314442D+01  0.692727D+01  0.235005D+01 -0.156745D+02
      3   0.393814D+01 -0.100600D+02 -0.103764D+02 -0.619121D+01  0.384021D+02
      4   0.130500D+01 -0.174997D+01 -0.205084D+01 -0.353093D+01  0.236598D+01
      5  -0.296360D+01  0.374745D+01  0.121135D+02  0.413782D+01 -0.195888D+02
      6  -0.297702D+01  0.231017D+01  0.568908D+00  0.537881D+01 -0.926849D+00
               136           137           138           139           140 
      1   0.346208D+01 -0.285938D+00 -0.145343D+01 -0.864264D-01 -0.185386D+01
      2  -0.571192D+01  0.913658D+00 -0.420142D+01  0.215292D+01 -0.574334D+00
      3   0.224985D+01 -0.627720D+00  0.565485D+01 -0.206649D+01  0.242820D+01
      4  -0.288090D+01  0.376904D+01 -0.104003D+01  0.251169D+01 -0.308372D+01
      5   0.114607D+02 -0.313475D+01  0.958089D+01 -0.452994D+01  0.352304D+01
      6  -0.717813D+00  0.195349D+01 -0.762103D+00  0.833685D+00 -0.311836D+01
               141           142           143           144           145 
      1   0.492830D+01 -0.357881D+01  0.438085D+01 -0.123449D+02 -0.300023D+01
      2   0.216216D+01 -0.536768D+01  0.113740D+01 -0.843419D+01 -0.247162D+01
      3  -0.709047D+01  0.894648D+01 -0.551825D+01  0.207791D+02  0.547185D+01
      4   0.130823D+01 -0.118813D+01  0.264943D+01 -0.218236D+01  0.525922D+01
      5  -0.562680D+01  0.118351D+02 -0.421927D+01  0.148662D+02 -0.855985D+01
      6   0.241647D+01 -0.182176D+01  0.479436D+01 -0.338228D+01 -0.588213D+01
               146           147           148           149           150 
      1  -0.182405D+01  0.541976D+01 -0.272498D+01 -0.539427D+01  0.919889D+01
      2   0.538460D+00  0.264342D+01 -0.254763D+00  0.147527D+01 -0.297651D+00
      3   0.128559D+01 -0.806318D+01  0.297974D+01  0.391900D+01 -0.890124D+01
      4   0.359014D+01 -0.542962D+01  0.235101D+01  0.203329D+01 -0.298951D+01
      5  -0.337107D+01  0.111851D+02 -0.301327D+01 -0.278357D+01  0.370296D+01
      6  -0.356087D+01  0.610649D+01 -0.316049D+01 -0.630195D+01  0.975225D+01
               151           152           153           154           155 
      1   0.745972D+01  0.110136D+02 -0.293583D+02  0.372012D+01  0.275264D+01
      2   0.185314D+01 -0.343735D+01 -0.545442D+01 -0.264619D+01 -0.342520D+01
      3  -0.931286D+01 -0.757620D+01  0.348127D+02 -0.107393D+01  0.672561D+00
      4  -0.589237D+01 -0.500817D+01  0.788480D+01 -0.101954D+02  0.809831D+01
      5   0.103863D+02  0.488895D+01 -0.163276D+02  0.158551D+02 -0.538801D+01
      6   0.846825D+01  0.130258D+02 -0.240467D+02 -0.827093D+01  0.597976D+01
               156           157           158           159           160 
      1  -0.774545D+00  0.787420D+00 -0.390312D+01  0.536797D+01 -0.373212D+01
      2  -0.172024D+01 -0.156163D+00  0.254802D+01 -0.106955D+01 -0.159606D+01
      3   0.249479D+01 -0.631256D+00  0.135509D+01 -0.429841D+01  0.532818D+01
      4  -0.786820D+01  0.618199D+01 -0.629866D+01  0.633557D+01 -0.851282D+01
      5   0.134374D+02 -0.688347D+01  0.572795D+01 -0.843618D+01  0.148024D+02
      6  -0.813373D+01  0.589737D+01 -0.708070D+01  0.911386D+01 -0.102761D+02
               161           162           163           164           165 
      1   0.829686D+01 -0.135753D+02  0.749394D+01 -0.230990D+01 -0.847738D+01
      2  -0.492597D+01 -0.140938D+01 -0.706996D+01  0.657139D+00  0.615575D+01
      3  -0.337089D+01  0.149847D+02 -0.423986D+00  0.165276D+01  0.232163D+01
      4   0.773841D+01 -0.104908D+02 -0.573909D+01  0.952553D+01  0.653600D+01
      5  -0.762443D+01  0.195525D+02 -0.152521D+02  0.469586D+01  0.153367D+02
      6   0.120540D+02 -0.183451D+02  0.460480D+01 -0.187742D+01 -0.328117D+01
               166           167           168           169           170 
      1   0.441950D+01  0.107757D+01 -0.253020D+01 -0.138810D+02 -0.474521D+01
      2  -0.330993D+01  0.407627D+00  0.115302D+01  0.126992D+02  0.633701D+00
      3  -0.110957D+01 -0.148520D+01  0.137718D+01  0.118179D+01  0.411150D+01
      4   0.116201D+02 -0.992025D+01 -0.942690D+01  0.114206D+02 -0.135613D+02
      5   0.484387D+01 -0.941758D+01 -0.957263D+01  0.264722D+02 -0.178221D+02
      6  -0.344517D+01  0.650589D+01  0.938282D+01 -0.890841D+01  0.116936D+02
               171           172           173           174           175 
      1  -0.512903D+01  0.186980D+02 -0.100481D+02  0.620732D+01 -0.103867D+02
      2  -0.115857D+02 -0.306946D+01 -0.563268D+00 -0.159943D+01 -0.430627D+01
      3   0.167147D+02 -0.156285D+02  0.106114D+02 -0.460789D+01  0.146930D+02
      4  -0.210413D+02 -0.222819D+02  0.246977D+02 -0.529892D+01  0.322294D+02
      5  -0.494113D+02  0.838698D+01 -0.312310D+01  0.674373D+01 -0.447288D+01
      6   0.196969D+02 -0.268390D+01  0.160681D+00 -0.157495D+01  0.152171D+01
               176           177           178           179           180 
      1   0.350927D+01 -0.511815D+00  0.162122D+02 -0.118231D-01  0.226267D+01
      2   0.184356D+02 -0.416268D+01 -0.418335D+01 -0.688652D+01  0.612409D+00
      3  -0.219449D+02  0.467450D+01 -0.120288D+02  0.689834D+01 -0.287508D+01
      4  -0.470245D+02  0.114396D+02 -0.129978D+02  0.207710D+02 -0.136266D+02
      5   0.101173D+02 -0.829412D+01  0.967368D+01 -0.118878D+02  0.693481D+01
      6  -0.352235D+01  0.505480D+01 -0.399304D+01  0.599689D+01 -0.368947D+01
               181           182           183           184           185 
      1   0.141090D+03 -0.176294D+02 -0.179623D+02 -0.259210D+02  0.145187D+02
      2  -0.719683D+02  0.912534D+01  0.905428D+01  0.129113D+02 -0.566531D+01
      3  -0.691220D+02  0.850410D+01  0.890800D+01  0.130097D+02 -0.885338D+01
      4  -0.143831D+02  0.130745D+02  0.180073D+01  0.174042D+02 -0.897816D+01
      5  -0.216225D+02  0.252849D+01  0.165646D+02  0.290975D+01 -0.679770D+01
      6   0.983344D+00 -0.124041D+01  0.108070D+01 -0.151072D+01  0.118254D-01
               186           187           188           189           190 
      1   0.349805D+01 -0.204753D+02  0.264499D+01  0.176235D+02  0.352480D+02
      2  -0.233914D+01  0.116232D+02 -0.227045D+01 -0.107506D+02 -0.158209D+02
      3  -0.115890D+01  0.885208D+01 -0.374545D+00 -0.687294D+01 -0.194271D+02
      4  -0.624145D+01  0.990362D+00 -0.574419D+01 -0.649403D+00  0.333548D+02
      5  -0.105539D+01  0.238138D+02 -0.969720D+00 -0.551697D+01  0.274968D+02
      6   0.229461D+01  0.162532D+00  0.247632D+01  0.784755D+00  0.122977D+02
               191           192           193           194           195 
      1   0.216038D+02  0.141258D+02  0.250877D+02  0.157983D+02  0.587365D+01
      2  -0.639130D+01 -0.985671D+01 -0.688628D+01  0.160036D+01 -0.308050D+01
      3  -0.152125D+02 -0.426907D+01 -0.182014D+02 -0.173986D+02 -0.279315D+01
      4   0.301171D+02  0.131077D+02  0.385241D+02  0.464249D+02  0.227324D+02
      5   0.165138D+02  0.218291D+02  0.230505D+02  0.266158D+02  0.203208D+02
      6   0.107928D+02  0.761867D+01  0.146004D+02  0.197967D+02  0.141496D+02
               196           197           198           199           200 
      1   0.827275D+01  0.239503D+01  0.754362D+01  0.111512D+02 -0.738212D+01
      2  -0.688164D+01 -0.223279D+01 -0.611315D+01 -0.952241D+01  0.602804D+01
      3  -0.139112D+01 -0.162237D+00 -0.143047D+01 -0.162877D+01  0.135408D+01
      4   0.102534D+02  0.127715D+02  0.125382D+02 -0.808395D+01  0.126890D+02
      5   0.189291D+02  0.130377D+02  0.154972D+02  0.176679D+02 -0.815121D+01
      6   0.741238D+01  0.102860D+02  0.791585D+01 -0.196505D+01  0.431350D+01
               201           202           203           204           205 
      1   0.126957D+02 -0.118056D+02  0.700674D+01 -0.362191D+01  0.104899D+02
      2  -0.109049D+02  0.102575D+02 -0.876701D+01  0.133252D+02 -0.111720D+02
      3  -0.179084D+01  0.154811D+01  0.176027D+01 -0.970330D+01  0.682124D+00
      4  -0.577700D+01  0.139950D+02 -0.290192D+02  0.217554D+02 -0.597183D+01
      5   0.181088D+02 -0.150219D+02  0.246818D+02 -0.304030D+02  0.190595D+02
      6  -0.187457D+01  0.526857D+01 -0.130977D+02  0.969948D+01 -0.252660D+01
               206           207           208           209           210 
      1  -0.124915D+01  0.293039D+01 -0.465434D+02  0.944854D+01  0.137062D+02
      2   0.933777D+01 -0.180191D+02  0.226799D+02 -0.536111D+01 -0.185152D+01
      3  -0.808862D+01  0.150887D+02  0.238635D+02 -0.408742D+01 -0.118547D+02
      4   0.164302D+02 -0.180044D+02 -0.378330D+01 -0.257751D+01 -0.119961D+01
      5  -0.195648D+02  0.349638D+02 -0.103291D+02 -0.112339D+01 -0.752009D+01
      6   0.931289D+01 -0.811995D+01  0.587857D+01 -0.487138D+01 -0.612936D+01
               211           212           213           214           215 
      1   0.813169D+01 -0.824994D+01 -0.625830D+01  0.101985D+02 -0.403058D+01
      2  -0.387968D+01  0.487371D+01  0.377518D+01 -0.182608D+01  0.196191D+01
      3  -0.425202D+01  0.337623D+01  0.248311D+01 -0.837242D+01  0.206867D+01
      4   0.159071D+01  0.336621D+01  0.562851D+01  0.160184D+00  0.373811D+01
      5   0.696099D-01  0.462783D+01  0.263480D+00  0.568122D+00 -0.107560D+01
      6  -0.242208D+01  0.421193D+01  0.528760D+01 -0.368728D+01  0.431242D+01
               216           217           218           219           220 
      1  -0.112062D+02 -0.433585D+02  0.138534D+02  0.181198D+01  0.916050D+01
      2   0.152648D+01  0.289229D+02 -0.136166D+02 -0.199860D+01 -0.821919D+01
      3   0.967972D+01  0.144356D+02 -0.236825D+00  0.186620D+00 -0.941305D+00
      4  -0.121725D+01 -0.129576D+02 -0.365756D+01  0.341332D+01  0.200172D+01
      5   0.298665D+01  0.121824D+02  0.357316D+00 -0.597330D+01 -0.124419D+01
      6   0.260739D+01  0.480700D+00  0.324692D+01 -0.484548D+01  0.146090D+01
               221           222           223           224           225 
      1  -0.117858D+02  0.170576D+00  0.574950D+01 -0.286284D+01 -0.656274D+01
      2   0.134177D+02  0.647632D+00 -0.380487D+01  0.402437D+01  0.116110D+01
      3  -0.163191D+01 -0.818208D+00 -0.194462D+01 -0.116152D+01  0.540164D+01
      4   0.444892D+01  0.106345D+01  0.174834D+01  0.411237D+01 -0.160529D+01
      5   0.321091D+01 -0.419216D+00 -0.258123D+01  0.132477D+00 -0.241913D+01
      6  -0.111020D+01  0.953629D+00 -0.296916D+01  0.128739D+01 -0.361799D+00
               226           227           228           229           230 
      1   0.446204D+00  0.197679D+01 -0.904165D+01 -0.110877D+01  0.693760D+00
      2  -0.272329D+01  0.469502D+00  0.694651D+01  0.239735D+01 -0.217211D+01
      3   0.227709D+01 -0.244629D+01  0.209514D+01 -0.128859D+01  0.147835D+01
      4   0.285945D+01  0.641034D+01 -0.302301D+01  0.460417D+01  0.232356D+00
      5  -0.107811D+02 -0.127409D+01  0.133016D+02  0.837324D+00 -0.628035D+01
      6  -0.286953D+01 -0.131019D+01  0.175324D+01 -0.100054D+01 -0.483811D+00
               231           232           233           234           235 
      1   0.375712D+00 -0.847066D+01  0.196084D+01 -0.131026D+02  0.276930D+02
      2  -0.478943D+01  0.842483D+01 -0.352914D+01 -0.246777D+02 -0.917671D+00
      3   0.441372D+01  0.458310D-01  0.156831D+01  0.377803D+02 -0.267753D+02
      4  -0.531882D+01 -0.511222D+01 -0.871557D+01  0.400053D+01  0.402341D+02
      5  -0.824551D+01  0.165537D+02  0.349506D+01 -0.680207D+02 -0.365367D+01
      6   0.387590D+01  0.427228D+01  0.774699D+01 -0.244419D+02 -0.298075D+01
               236           237           238           239           240 
      1   0.205505D+02  0.215745D+01  0.183619D+02  0.107245D+02 -0.299871D+00
      2   0.440077D+01 -0.287297D-01  0.770800D+01  0.263010D+02  0.123519D+01
      3  -0.249513D+02 -0.212872D+01 -0.260700D+02 -0.370255D+02 -0.935320D+00
      4   0.426803D+02 -0.111868D+01  0.453247D+02  0.664669D+02 -0.506128D+00
      5  -0.541963D+01  0.914699D+01 -0.503240D+01 -0.402117D+01  0.671908D+01
      6  -0.456208D+01  0.522961D+01 -0.453555D+01 -0.758985D+01  0.592163D+01
               241           242           243           244           245 
      1   0.690071D+01  0.166834D+01  0.378931D+01  0.733556D+00  0.334165D+01
      2   0.126160D+00  0.513955D+01 -0.105591D+01 -0.415670D+01 -0.152228D+01
      3  -0.702687D+01 -0.680789D+01 -0.273340D+01  0.342314D+01 -0.181937D+01
      4   0.772083D+01  0.123745D+02  0.838915D+01  0.605803D+01  0.529811D+01
      5   0.775960D+01  0.678536D+01 -0.165650D+01 -0.122562D+02 -0.155827D+01
      6   0.453657D+01  0.498422D+01  0.174126D+00 -0.364084D+01 -0.521805D+00
               246           247           248           249           250 
      1  -0.681254D+01  0.414302D+01  0.150762D+00  0.205674D+01 -0.787581D+01
      2   0.526170D+01 -0.169931D+01 -0.198827D+00 -0.471841D+00  0.829532D+01
      3   0.155084D+01 -0.244372D+01  0.480645D-01 -0.158490D+01 -0.419513D+00
      4  -0.268359D+01  0.897656D+01  0.432018D+01 -0.734810D+01 -0.400833D+01
      5   0.121628D+02 -0.214887D+01 -0.737122D+01  0.845038D+01  0.167519D+02
      6   0.211971D+01 -0.180783D+01 -0.397414D+01  0.670072D+01  0.308136D+01
               251           252           253           254           255 
      1   0.221772D+01 -0.583244D+01 -0.810295D+02 -0.774526D+01  0.100043D+02
      2   0.534032D+00 -0.129160D+02  0.415098D+02  0.128607D+02 -0.602426D+01
      3  -0.275175D+01  0.187485D+02  0.395197D+02 -0.511545D+01 -0.398005D+01
      4  -0.977697D+01  0.873628D+01 -0.139091D+02  0.235197D+02  0.832409D+01
      5   0.727149D+01 -0.408013D+02  0.121299D+02  0.486916D+01  0.922943D+01
      6   0.607079D+01 -0.114673D+02  0.860507D+01  0.380439D+01  0.358539D+01
               256           257           258           259           260 
      1   0.135115D+02  0.348288D+02  0.383905D+00  0.270383D+02  0.189255D+01
      2  -0.172157D-01 -0.361659D+02 -0.636712D-01 -0.991168D+01  0.321479D+01
      3  -0.134943D+02  0.133707D+01 -0.320234D+00 -0.171267D+02 -0.510734D+01
      4   0.319391D+02 -0.178660D+02  0.106350D+02  0.200560D+02  0.178711D+02
      5   0.102747D+02  0.135757D+02  0.120386D+02  0.146983D+02  0.110197D+02
      6   0.622408D+01  0.367200D+01  0.611270D+01  0.714282D+01  0.662169D+01
               261           262           263           264           265 
      1   0.128161D+02  0.293925D+01 -0.549318D+01 -0.112653D+01 -0.351219D+01
      2   0.597925D+01  0.338112D+01 -0.303574D+01 -0.329610D+00 -0.703500D+01
      3  -0.187953D+02 -0.632038D+01  0.852892D+01  0.145614D+01  0.105472D+02
      4   0.144307D+02 -0.111966D+02  0.170891D+02  0.335052D+01  0.211859D+02
      5  -0.268705D+02 -0.394304D+01  0.454633D+01  0.293441D+01  0.556654D+01
      6  -0.842382D+01  0.298417D+01 -0.363127D+01 -0.136523D+01 -0.482726D+01
               266           267           268           269           270 
      1  -0.130471D+02 -0.358043D+01  0.442277D+00  0.316943D+00 -0.170455D+01
      2   0.378703D+02  0.523869D+01  0.216280D+01 -0.691826D+01  0.178461D+01
      3  -0.248231D+02 -0.165826D+01 -0.260507D+01  0.660132D+01 -0.800581D-01
      4  -0.557705D+02 -0.107123D+02 -0.346793D+01  0.880434D+01 -0.309738D+01
      5  -0.126838D+02 -0.962752D+01  0.164410D+01 -0.288321D+01 -0.253594D+01
      6   0.165948D+02  0.809338D+01 -0.909454D+00  0.341292D+01  0.184634D+01
               271           272           273           274           275 
      1   0.127349D+03  0.110521D+02 -0.525997D+01 -0.442460D+01  0.805043D+01
      2  -0.602992D+02 -0.176845D+01  0.221431D+01  0.561608D+01 -0.725237D+00
      3  -0.670500D+02 -0.928361D+01  0.304566D+01 -0.119148D+01 -0.732519D+01
      4   0.443904D+02  0.180002D+02 -0.370205D+00  0.134555D+02  0.578969D+01
      5   0.263125D+01  0.113275D+01  0.124822D+02 -0.997567D+00 -0.204790D+01
      6  -0.148064D+01  0.111991D+01  0.374104D+01  0.960392D-01 -0.435263D+00
               276           277           278           279           280 
      1   0.297057D+00 -0.168933D+02 -0.140154D+01  0.105004D+02  0.651811D-01
      2  -0.449824D+00  0.702119D+01 -0.797670D+00 -0.729579D+01  0.386382D+01
      3   0.152767D+00  0.987216D+01  0.219921D+01 -0.320463D+01 -0.392900D+01
      4  -0.234991D+01 -0.774635D+01 -0.550110D+01  0.244211D+01  0.432382D+01
      5  -0.166656D+01  0.144272D+02  0.193698D+00 -0.928577D+00 -0.261760D+01
      6  -0.926956D-01  0.397077D+01  0.697280D+00 -0.369856D+00 -0.908524D+00
               281           282           283           284           285 
      1   0.139339D+02 -0.159108D+01  0.997165D+01 -0.319955D+02 -0.205353D+00
      2  -0.140990D+02  0.108543D+01 -0.390567D+01  0.534348D+02 -0.782533D+00
      3   0.165108D+00  0.505656D+00 -0.606598D+01 -0.214393D+02  0.987886D+00
      4  -0.574981D+01 -0.184407D+01  0.947326D+01  0.528692D+02 -0.242445D+00
      5   0.443423D-01 -0.254943D+01  0.116727D+01 -0.277044D+01  0.575018D+01
      6  -0.133968D+01 -0.227884D+01  0.385887D-01  0.448892D+01  0.650496D+01
               286           287           288           289           290 
      1  -0.551731D+01  0.134865D+01 -0.619382D+01  0.676903D+01  0.642547D+00
      2   0.204761D+01 -0.485845D+01  0.516202D+01 -0.656648D+01 -0.177468D+01
      3   0.346969D+01  0.350981D+01  0.103180D+01 -0.202547D+00  0.113214D+01
      4  -0.427340D+01 -0.774621D+01  0.436566D+01 -0.858846D-01 -0.302088D+01
      5  -0.155418D+00  0.569606D+01  0.486175D+00  0.464552D+01 -0.959026D+00
      6  -0.561426D+00  0.705664D+01 -0.324802D+00  0.677893D+00 -0.126964D+01
               291           292           293           294           295 
      1   0.618336D+01 -0.563174D+01 -0.633043D+01 -0.807462D+00  0.102030D+02
      2  -0.272190D+01  0.210677D+01  0.324715D+01  0.324213D+01 -0.654452D+01
      3  -0.346146D+01  0.352497D+01  0.308328D+01 -0.243467D+01 -0.365848D+01
      4   0.692156D+00 -0.359985D+01 -0.300064D+01  0.311730D+01  0.556936D+01
      5   0.153957D+01 -0.228155D+01  0.292303D+01 -0.498642D+01  0.106918D+02
      6  -0.766956D+00 -0.657549D+00  0.323131D+00  0.181959D+01  0.233689D+01
               296           297 
      1  -0.109647D+01 -0.113266D+02
      2   0.319999D+01 -0.136376D+02
      3  -0.210353D+01  0.249641D+02
      4   0.898781D+01  0.479537D+00
      5   0.145216D+01  0.444456D+02
      6   0.477071D+01  0.170915D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.471325D+00      0.119799D+01      0.399606D+01
   y         -0.177071D+00     -0.450069D+00     -0.150127D+01
   z          0.473124D+00      0.120256D+01      0.401131D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.199037D+03      0.294943D+02      0.328168D+02
   yx        -0.554041D+00     -0.821005D-01     -0.913491D-01
   yy         0.130507D+03      0.193392D+02      0.215177D+02
   zx         0.166351D+01      0.246507D+00      0.274276D+00
   zy        -0.744604D+01     -0.110339D+01     -0.122769D+01
   zz         0.145234D+03      0.215214D+02      0.239458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165566D+03      0.245344D+02      0.272982D+02
   aniso      0.666871D+02      0.988200D+01      0.109952D+02
   xx         0.208048D+03      0.308296D+02      0.343025D+02
   yx        -0.601070D+00     -0.890693D-01     -0.991030D-01
   yy         0.136432D+03      0.202171D+02      0.224945D+02
   zx         0.177908D+01      0.263632D+00      0.293330D+00
   zy        -0.793707D+01     -0.117615D+01     -0.130865D+01
   zz         0.152219D+03      0.225565D+02      0.250974D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.57539356         -1.13510741         -0.52031291
     6          2.34280323         -1.35288217          2.09805333
     6          0.46762951         -1.09563667         -2.07820159
     6         -1.95548370         -1.27828699         -1.06060019
     6         -2.20255524         -1.50369757          1.54702002
     6         -0.08618841         -1.55023781          3.09842196
     6          4.63374799         -1.32775249          3.78610954
     6          5.47042762          1.32136745          4.70012994
     6          3.46172337          2.60223762          6.33203510
     6          6.26842276          3.03366791          2.51617427
     6         -4.27369158         -1.28965107         -2.75652900
     6         -4.29924668          1.12351271         -4.30287860
     8         -3.45515123          1.36749758         -6.40114854
     8         -5.35424189          3.06278025         -3.01473519
     1          4.43962886         -0.99837495         -1.35378487
     1          0.70611260         -0.90927761         -4.10169322
     1         -4.06913867         -1.65264702          2.37467544
     1         -0.32824966         -1.74485431          5.12138427
     1          6.22018682         -2.19654782          2.78875823
     1          4.26378091         -2.49616621          5.44873262
     1          7.13508521          0.99955440          5.88816628
     1          4.16801212          4.38863957          7.08468419
     1          2.91589097          1.41412909          7.92940852
     1          1.76213425          3.01039287          5.23640812
     1          4.67174946          3.45745334          1.28068281
     1          7.74237172          2.15642394          1.36787527
     1          7.00374661          4.82470624          3.22892772
     1         -5.93714869         -1.24710584         -1.54015755
     6         -4.37270206         -3.61550697         -4.47052394
     1         -5.21318096          4.55038174         -4.07712860
     1         -6.09134851         -3.62048436         -5.60879636
     1         -4.33272892         -5.32525177         -3.32273727
     1         -2.76346359         -3.64533376         -5.75173339

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.690903D+00      0.175610D+01      0.585772D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.172588D+03      0.255750D+02      0.284560D+02
   yx         0.705549D+01      0.104552D+01      0.116329D+01
   yy         0.128523D+03      0.190451D+02      0.211905D+02
   zx         0.252401D+02      0.374019D+01      0.416153D+01
   zy         0.308542D+01      0.457212D+00      0.508717D+00
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165566D+03      0.245344D+02      0.272982D+02
   aniso      0.666871D+02      0.988200D+01      0.109952D+02
   xx         0.180572D+03      0.267580D+02      0.297723D+02
   yx         0.739080D+01      0.109520D+01      0.121858D+01
   yy         0.134305D+03      0.199019D+02      0.221439D+02
   zx         0.261570D+02      0.387606D+01      0.431270D+01
   zy         0.319808D+01      0.473906D+00      0.527292D+00
   zz         0.181822D+03      0.269432D+02      0.299784D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-25\Freq\RM11\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.736226,-0.36526
 2,-1.272205\C,1.580407,-0.843892,-0.268944\C,-0.631287,-0.249652,-1.07
 0495\C,-1.202033,-0.613612,0.148225\C,-0.367697,-1.095463,1.151784\C,1
 .000381,-1.213316,0.943659\C,3.068617,-0.934244,-0.480851\C,3.864505,0
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 KEEP CLOSE TO NATURES HEART, YOURSELF;
 AND BREAK CLEAR AWAY, ONCE IN A WHILE, AND
 CLIMB A MOUNTAIN OR SPEND A WEEK IN THE
 WOODS.  WASH YOUR SPIRIT CLEAN...
                                         -- JOHN MUIR
 Job cpu time:       0 days 17 hours 35 minutes 56.7 seconds.
 Elapsed time:       0 days  2 hours 12 minutes 13.8 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:41:55 2021.
